Phenanthrenes and derivatives

Polycyclic aromatic hydrocarbon compounds that consist of fourteen carbon atoms and ten hydrogen atoms fused into three benzene rings. Includes compounds that are derived from phenanthrenes.

1 – 15 of 144 results

Hypericin, 98%, Thermo Scientific Chemicals

CAS: 548-04-9 Molecular Formula: C30H16O8 Molecular Weight (g/mol): 504.45 MDL Number: MFCD00016683 InChI Key: BTXNYTINYBABQR-UHFFFAOYSA-N Synonym: hypericin,hypericum red,hipericina,hypericine,hyperizin,cyclosan,1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione,cyclo-werol,hypericum extract,vimrxyn PubChem CID: 5281051 ChEBI: CHEBI:5835 SMILES: CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O

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Specifications

PubChem CID	5281051
CAS	548-04-9
Molecular Weight (g/mol)	504.45
ChEBI	CHEBI:5835
MDL Number	MFCD00016683
SMILES	CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C=C(C7=C6C5=C3C8=C7C(=CC(=C8C2=O)O)O)O)O)O
Synonym	hypericin,hypericum red,hipericina,hypericine,hyperizin,cyclosan,1,3,4,6,8,13-hexahydroxy-10,11-dimethylphenanthro 1,10,9,8-opqra perylene-7,14-dione,cyclo-werol,hypericum extract,vimrxyn
InChI Key	BTXNYTINYBABQR-UHFFFAOYSA-N
Molecular Formula	C30H16O8

3,4-Benzopyrene (purified by sublimation) 95.0+%, TCI America™

CAS: 50-32-8 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00003602 InChI Key: FMMWHPNWAFZXNH-UHFFFAOYSA-N Synonym: benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene PubChem CID: 2336 ChEBI: CHEBI:29865 IUPAC Name: pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene SMILES: C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34

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Specifications

PubChem CID	2336
CAS	50-32-8
Molecular Weight (g/mol)	252.32
ChEBI	CHEBI:29865
MDL Number	MFCD00003602
SMILES	C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34
Synonym	benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene
IUPAC Name	pentacyclo[10.6.2.0²,⁷.0⁹,¹⁹.0¹⁶,²⁰]icosa-1(18),2,4,6,8,10,12,14,16,19-decaene
InChI Key	FMMWHPNWAFZXNH-UHFFFAOYSA-N
Molecular Formula	C20H12

Rosin, gum, Thermo Scientific Chemicals

CAS: 8050-09-7 Molecular Formula: C20H30O2 Molecular Weight (g/mol): 302.46 MDL Number: MFCD00132205 InChI Key: RSWGJHLUYNHPMX-UHFFFAOYNA-N Synonym: 4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

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Specifications

CAS	8050-09-7
Molecular Weight (g/mol)	302.46
MDL Number	MFCD00132205
Synonym	4bs,1r,10ar,4ar-1,4a-dimethyl-7-methylethyl-1,2,3,4,5,6,10,10a,4a,4b-decah ydrophenanthrenecarboxylic acid,4ar-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid
InChI Key	RSWGJHLUYNHPMX-UHFFFAOYNA-N
Molecular Formula	C20H30O2

Benzo[a]phenanthrene (purified by sublimation) 98.0+%, TCI America™

CAS: 218-01-9 Molecular Formula: C18H12 Molecular Weight (g/mol): 228.294 MDL Number: MFCD00003698 InChI Key: WDECIBYCCFPHNR-UHFFFAOYSA-N Synonym: benzo a phenanthrene,1,2-benzophenanthrene,1,2-benzphenanthrene,1,2,5,6-dibenzonaphthalene,benz a phenanthrene,chrysen,rcra waste number u050,rcra waste no. u050 PubChem CID: 9171 ChEBI: CHEBI:51687 IUPAC Name: chrysene SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43

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Specifications

PubChem CID	9171
CAS	218-01-9
Molecular Weight (g/mol)	228.294
ChEBI	CHEBI:51687
MDL Number	MFCD00003698
SMILES	C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43
Synonym	benzo a phenanthrene,1,2-benzophenanthrene,1,2-benzphenanthrene,1,2,5,6-dibenzonaphthalene,benz a phenanthrene,chrysen,rcra waste number u050,rcra waste no. u050
IUPAC Name	chrysene
InChI Key	WDECIBYCCFPHNR-UHFFFAOYSA-N
Molecular Formula	C18H12

9,10-Dihydrophenanthrene 96.0+%, TCI America™

CAS: 776-35-2 Molecular Formula: C14H12 Molecular Weight (g/mol): 180.25 MDL Number: MFCD00001164 InChI Key: XXPBFNVKTVJZKF-UHFFFAOYSA-N Synonym: phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci PubChem CID: 13058 IUPAC Name: 9,10-dihydrophenanthrene SMILES: C1CC2=CC=CC=C2C3=CC=CC=C31

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Specifications

PubChem CID	13058
CAS	776-35-2
Molecular Weight (g/mol)	180.25
MDL Number	MFCD00001164
SMILES	C1CC2=CC=CC=C2C3=CC=CC=C31
Synonym	phenanthrene, 9,10-dihydro,unii-brm9tu2f34,9,10-dihydro-phenanthrene,dihydrophenanthrene,brm9tu2f34,acmc-1ba4q,phenanthrene,9,10-dihydro,9,10-dihydrophenanthrene,phenanthrene, 9,10-dihydro-8ci 9ci
IUPAC Name	9,10-dihydrophenanthrene
InChI Key	XXPBFNVKTVJZKF-UHFFFAOYSA-N
Molecular Formula	C14H12

Benzo[g]chrysene, 98%, Thermo Scientific™

CAS: 196-78-1 Molecular Formula: C₂₂H₁₄ Molecular Weight (g/mol): 278.35 InChI Key: JZOIZKBKSZMVRV-UHFFFAOYSA-N Synonym: benzo g chrysene,benzo a triphenylene,naphthophenanthrene,unii-e7mq64xu75,1,2,3,4-dibenzphenanthrene,1,2,3,4-dibenzophenanthrene,1,2:3,4:7,8-tribenznaphthalene,benzochrysene,acmc-20gx0y PubChem CID: 9140 SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35

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Specifications

PubChem CID	9140
CAS	196-78-1
Molecular Weight (g/mol)	278.35
SMILES	C1=CC=C2C(=C1)C=CC3=C2C4=CC=CC=C4C5=CC=CC=C35
Synonym	benzo g chrysene,benzo a triphenylene,naphthophenanthrene,unii-e7mq64xu75,1,2,3,4-dibenzphenanthrene,1,2,3,4-dibenzophenanthrene,1,2:3,4:7,8-tribenznaphthalene,benzochrysene,acmc-20gx0y
InChI Key	JZOIZKBKSZMVRV-UHFFFAOYSA-N
Molecular Formula	C₂₂H₁₄

Sodium Abietate 95.0+%, TCI America™

CAS: 14351-66-7 Molecular Formula: C20H29NaO2 Molecular Weight (g/mol): 324.44 MDL Number: MFCD00058941 InChI Key: ITCAUAYQCALGGV-XTICBAGASA-M Synonym: Abietic Acid Sodium Salt PubChem CID: 133121851 IUPAC Name: sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate SMILES: [Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1

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Specifications

PubChem CID	133121851
CAS	14351-66-7
Molecular Weight (g/mol)	324.44
MDL Number	MFCD00058941
SMILES	[Na+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C([O-])=O)[C@H]2CC1
Synonym	Abietic Acid Sodium Salt
IUPAC Name	sodium (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene-1-carboxylate
InChI Key	ITCAUAYQCALGGV-XTICBAGASA-M
Molecular Formula	C20H29NaO2

Fullerene powder, hydroxylated, C{60}(OH)∣n,, Thermo Scientific Chemicals

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD06202029 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C\{60}-I\{h})[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

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Specifications

PubChem CID	123591
CAS	99685-96-8
Molecular Weight (g/mol)	720.66
ChEBI	CHEBI:33128
MDL Number	MFCD06202029
SMILES	C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym	fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name	(C\{60}-I\{h})[5,6]fullerene
InChI Key	XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula	C60

Benzo[a]pyrene, 96%, Thermo Scientific Chemicals

CAS: 50-32-8 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.32 MDL Number: MFCD00003602 InChI Key: FMMWHPNWAFZXNH-UHFFFAOYSA-N Synonym: benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene PubChem CID: 2336 ChEBI: CHEBI:29865 IUPAC Name: benzo[a]pyrene SMILES: C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34

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Specifications

PubChem CID	2336
CAS	50-32-8
Molecular Weight (g/mol)	252.32
ChEBI	CHEBI:29865
MDL Number	MFCD00003602
SMILES	C1=CC=C2C(=C1)C=C1C=CC3=CC=CC4=CC=C2C1=C34
Synonym	benzo a pyrene,3,4-benzopyrene,benzo pqr tetraphene,3,4-benzpyrene,benzpyrene,benzo def chrysene,6,7-benzopyrene,benz a pyrene,3,4-benz a pyrene
IUPAC Name	benzo[a]pyrene
InChI Key	FMMWHPNWAFZXNH-UHFFFAOYSA-N
Molecular Formula	C20H12

2,3,6,7,10,11-Hexabromotriphenylene 98.0+%, TCI America™

CAS: 82632-80-2 Molecular Formula: C18H6Br6 Molecular Weight (g/mol): 701.67 InChI Key: GLHQUXLCQLQNPZ-UHFFFAOYSA-N PubChem CID: 11083045 IUPAC Name: 2,3,6,7,10,11-hexabromotriphenylene SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br

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Specifications

PubChem CID	11083045
CAS	82632-80-2
Molecular Weight (g/mol)	701.67
SMILES	C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1Br)Br)Br)Br)Br)Br
IUPAC Name	2,3,6,7,10,11-hexabromotriphenylene
InChI Key	GLHQUXLCQLQNPZ-UHFFFAOYSA-N
Molecular Formula	C18H6Br6

2,7-Dibromotriphenylene 98.0+%, TCI America™

CAS: 888041-37-0 Molecular Formula: C18H10Br2 Molecular Weight (g/mol): 386.086 MDL Number: MFCD22571695 InChI Key: BPGPBYGXGRDFQG-UHFFFAOYSA-N PubChem CID: 16122224 IUPAC Name: 2,7-dibromotriphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br

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Specifications

PubChem CID	16122224
CAS	888041-37-0
Molecular Weight (g/mol)	386.086
MDL Number	MFCD22571695
SMILES	C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)C4=C2C=C(C=C4)Br
IUPAC Name	2,7-dibromotriphenylene
InChI Key	BPGPBYGXGRDFQG-UHFFFAOYSA-N
Molecular Formula	C18H10Br2

Fullerene C60 (pure) 99.5+%, TCI America™

CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C60-Ih)[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41

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Specifications

PubChem CID	123591
CAS	99685-96-8
Molecular Weight (g/mol)	720.66
ChEBI	CHEBI:33128
MDL Number	MFCD00151408
SMILES	C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
Synonym	fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih
IUPAC Name	(C60-Ih)[5,6]fullerene
InChI Key	XMWRBQBLMFGWIX-UHFFFAOYSA-N
Molecular Formula	C60

2-(3-Bromophenyl)triphenylene 98.0+%, TCI America™

CAS: 1313514-53-2 Molecular Formula: C24H15Br Molecular Weight (g/mol): 383.288 InChI Key: KWXFBIBEVROWEF-UHFFFAOYSA-N PubChem CID: 58472032 IUPAC Name: 2-(3-bromophenyl)triphenylene SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C25

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Specifications

PubChem CID	58472032
CAS	1313514-53-2
Molecular Weight (g/mol)	383.288
SMILES	C1=CC=C2C(=C1)C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=CC=CC=C25
IUPAC Name	2-(3-bromophenyl)triphenylene
InChI Key	KWXFBIBEVROWEF-UHFFFAOYSA-N
Molecular Formula	C24H15Br

Bis-PCBM (mixture of isomers), TCI America™

CAS: 1048679-01-1 Molecular Formula: C84H28O4 Molecular Weight (g/mol): 1101.144 InChI Key: VESBOBHLCIVURF-UHFFFAOYSA-N Synonym: Bis[60]PCBM PubChem CID: 91972111 SMILES: COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C7=C7C%10=C%11C%12=C7C7=C%13C%14=C%12C%12=C%15C%14=C%14C%16=C%17C%15=C%15C%18=C%12C%11=C(C%18=C2C2=C%15C%17=C%11C%12=C2C3=C2C5=C8C3=C2C%12=C2C%11=C%16C5=C8C2=C3C9=C8C(=C17)C%131C5%14C1(CCCC(=O)OC)C1=CC=CC=C1)C4=C%106)C1=C

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Specifications

PubChem CID	91972111
CAS	1048679-01-1
Molecular Weight (g/mol)	1101.144
SMILES	COC(=O)CCCC1(C23C14C5=C6C7=C8C9=C1C7=C7C%10=C%11C%12=C7C7=C%13C%14=C%12C%12=C%15C%14=C%14C%16=C%17C%15=C%15C%18=C%12C%11=C(C%18=C2C2=C%15C%17=C%11C%12=C2C3=C2C5=C8C3=C2C%12=C2C%11=C%16C5=C8C2=C3C9=C8C(=C17)C%131C5%14C1(CCCC(=O)OC)C1=CC=CC=C1)C4=C%106)C1=C
Synonym	Bis[60]PCBM
InChI Key	VESBOBHLCIVURF-UHFFFAOYSA-N
Molecular Formula	C84H28O4

C60MC12 97.0+%, TCI America™

CAS: 403483-19-2 Molecular Formula: C81H35N Molecular Weight (g/mol): 1022.178 InChI Key: YDAHEEMFHYNKKQ-UHFFFAOYSA-N Synonym: C60-fused N-Methylpyrrolidine-m-C12-phenyl PubChem CID: 53384414 SMILES: CCCCCCCCCCCCC1=CC=CC(=C1)C2C34C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C8C7=C7C%14=C8C8=C%15C(=C%13C8=C%101)C1=C%12C8=C%10C1=C1C%15=C%14C%12=C1C1=C%10C%10=C%13C8=C%11C8=C5C9=C3C(=C%138)C3=C%10C1=C1C%12=C7C6=C1C43CN2C

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Specifications

PubChem CID	53384414
CAS	403483-19-2
Molecular Weight (g/mol)	1022.178
SMILES	CCCCCCCCCCCCC1=CC=CC(=C1)C2C34C5=C6C7=C8C5=C9C1=C5C%10=C%11C%12=C%13C%10=C%10C1=C8C1=C8C7=C7C%14=C8C8=C%15C(=C%13C8=C%101)C1=C%12C8=C%10C1=C1C%15=C%14C%12=C1C1=C%10C%10=C%13C8=C%11C8=C5C9=C3C(=C%138)C3=C%10C1=C1C%12=C7C6=C1C43CN2C
Synonym	C60-fused N-Methylpyrrolidine-m-C12-phenyl
InChI Key	YDAHEEMFHYNKKQ-UHFFFAOYSA-N
Molecular Formula	C81H35N

Phenanthrenes and derivatives

Phenanthrenes and derivatives

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3,4-Benzopyrene (purified by sublimation) 95.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

Benzo[a]phenanthrene (purified by sublimation) 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

9,10-Dihydrophenanthrene 96.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

Sodium Abietate 95.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

2,3,6,7,10,11-Hexabromotriphenylene 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

2,7-Dibromotriphenylene 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

Fullerene C60 (pure) 99.5+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

2-(3-Bromophenyl)triphenylene 98.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

Bis-PCBM (mixture of isomers), TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

C60MC12 97.0+%, TCI America™ Supplier Diversity PartnerSmall and/or diverse supplier based on Federal laws and SBA requirements.Learn More

3,4-Benzopyrene (purified by sublimation) 95.0+%, TCI America™

Benzo[a]phenanthrene (purified by sublimation) 98.0+%, TCI America™

9,10-Dihydrophenanthrene 96.0+%, TCI America™

Sodium Abietate 95.0+%, TCI America™

2,3,6,7,10,11-Hexabromotriphenylene 98.0+%, TCI America™

2,7-Dibromotriphenylene 98.0+%, TCI America™

Fullerene C60 (pure) 99.5+%, TCI America™

2-(3-Bromophenyl)triphenylene 98.0+%, TCI America™

Bis-PCBM (mixture of isomers), TCI America™

C60MC12 97.0+%, TCI America™