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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.
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1 – 15 of 34 results
1

[6,6]-Phenyl-C61-butyric Acid Butyl Ester 98.0+%, TCI America™

CAS: 571177-66-7 Molecular Formula: C75H20O2 MDL Number: MFCD09842755 Synonym: PCBB, [60]PCB-C4

CAS 571177-66-7
MDL Number MFCD09842755
Synonym PCBB, [60]PCB-C4
Molecular Formula C75H20O2
2

[6,6]-Phenyl-C61-butyric Acid Dodecyl Ester 98.0+%, TCI America™

CAS: 571177-69-0 Molecular Formula: C83H36O2 Synonym: [60]PCB-C12

CAS 571177-69-0
Synonym [60]PCB-C12
Molecular Formula C83H36O2
3

2,3,6,7,10,11-Hexahydroxytriphenylene Hydrate 95.0+%, TCI America™

CAS: 4877-80-9 Molecular Formula: C18H12O6 Molecular Weight (g/mol): 324.288 MDL Number: MFCD01321170 InChI Key: QMLILIIMKSKLES-UHFFFAOYSA-N Synonym: 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene PubChem CID: 11088610 IUPAC Name: triphenylene-2,3,6,7,10,11-hexol SMILES: C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O

PubChem CID 11088610
CAS 4877-80-9
Molecular Weight (g/mol) 324.288
MDL Number MFCD01321170
SMILES C1=C2C3=CC(=C(C=C3C4=CC(=C(C=C4C2=CC(=C1O)O)O)O)O)O
Synonym 2,3,6,7,10,11-hexahydroxytriphenylene,triphenylene-2,3,6,7,10,11-hexaol,2,3,6,7,10,11-triphenylenehexol,acmc-1ak9f,2,3,6,7,10,11-hexa-hydroxytriphenylene
IUPAC Name triphenylene-2,3,6,7,10,11-hexol
InChI Key QMLILIIMKSKLES-UHFFFAOYSA-N
Molecular Formula C18H12O6
4

6,12-Dibromochrysene 98.0+%, TCI America™

CAS: 131222-99-6 Molecular Formula: C18H10Br2 Molecular Weight (g/mol): 386.09 MDL Number: MFCD00092281 InChI Key: RULVBMDEPWAFIN-UHFFFAOYSA-N Synonym: 6,12-dibromochryscene,chrysene, 6,12-ibromo,chrysene, 6,12-dibromo,acmc-1c5x4,6,12-bis bromanyl chrysene,6,12-dibromochrysen PubChem CID: 3286225 IUPAC Name: 6,12-dibromochrysene SMILES: BrC1=CC2=C(C=C(Br)C3=CC=CC=C23)C2=CC=CC=C12

PubChem CID 3286225
CAS 131222-99-6
Molecular Weight (g/mol) 386.09
MDL Number MFCD00092281
SMILES BrC1=CC2=C(C=C(Br)C3=CC=CC=C23)C2=CC=CC=C12
Synonym 6,12-dibromochryscene,chrysene, 6,12-ibromo,chrysene, 6,12-dibromo,acmc-1c5x4,6,12-bis bromanyl chrysene,6,12-dibromochrysen
IUPAC Name 6,12-dibromochrysene
InChI Key RULVBMDEPWAFIN-UHFFFAOYSA-N
Molecular Formula C18H10Br2
5

Fullerene C60 99.0+%, 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

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
6

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

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
7

2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene 98.0+%, TCI America™

CAS: 70351-87-0 Molecular Formula: C66H108O6 Molecular Weight (g/mol): 997.58 MDL Number: MFCD20528916 InChI Key: IUFDADHEWRYRSP-UHFFFAOYSA-N PubChem CID: 15219108 IUPAC Name: 2,3,6,7,10,11-hexakis(octyloxy)triphenylene SMILES: CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21

PubChem CID 15219108
CAS 70351-87-0
Molecular Weight (g/mol) 997.58
MDL Number MFCD20528916
SMILES CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21
IUPAC Name 2,3,6,7,10,11-hexakis(octyloxy)triphenylene
InChI Key IUFDADHEWRYRSP-UHFFFAOYSA-N
Molecular Formula C66H108O6
8

Carnosic Acid 97.0+%, TCI America™

CAS: 3650-09-7 Molecular Formula: C20H28O4 Molecular Weight (g/mol): 332.44 MDL Number: MFCD02259459 InChI Key: QRYRORQUOLYVBU-VBKZILBWSA-N Synonym: (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid PubChem CID: 65126 ChEBI: CHEBI:65585 IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O

PubChem CID 65126
CAS 3650-09-7
Molecular Weight (g/mol) 332.44
ChEBI CHEBI:65585
MDL Number MFCD02259459
SMILES CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O
Synonym (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid
IUPAC Name (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
InChI Key QRYRORQUOLYVBU-VBKZILBWSA-N
Molecular Formula C20H28O4
9

3,6-Dibromo-9-(triphenylen-2-yl)carbazole 98.0+%, TCI America™

CAS: 1351870-16-0 Molecular Formula: C30H17Br2N Molecular Weight (g/mol): 551.281 InChI Key: SXVSFEPJEUWLCL-UHFFFAOYSA-N PubChem CID: 89492331 IUPAC Name: 3,6-dibromo-9-triphenylen-2-ylcarbazole SMILES: C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C7=CC=CC=C27

PubChem CID 89492331
CAS 1351870-16-0
Molecular Weight (g/mol) 551.281
SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)N4C5=C(C=C(C=C5)Br)C6=C4C=CC(=C6)Br)C7=CC=CC=C27
IUPAC Name 3,6-dibromo-9-triphenylen-2-ylcarbazole
InChI Key SXVSFEPJEUWLCL-UHFFFAOYSA-N
Molecular Formula C30H17Br2N
10

Dibenzo[g,p]chrysene 98.0+%, TCI America™

CAS: 191-68-4 Molecular Formula: C26H16 Molecular Weight (g/mol): 328.414 InChI Key: GQDKQZAEQBGVBS-UHFFFAOYSA-N PubChem CID: 67449 SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64

PubChem CID 67449
CAS 191-68-4
Molecular Weight (g/mol) 328.414
SMILES C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2C5=CC=CC=C5C6=CC=CC=C64
InChI Key GQDKQZAEQBGVBS-UHFFFAOYSA-N
Molecular Formula C26H16
11

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

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
12

ICBA 98.5+%, TCI America™

CAS: 1207461-57-1 Molecular Formula: C78H16 Molecular Weight (g/mol): 952.986 MDL Number: MFCD20264904 InChI Key: HQCAMIYWHBVPQE-UHFFFAOYSA-N PubChem CID: 91972098 SMILES: C1C2C3=CC=CC=C3C1C45C26C7=C8C9=C1C2=C3C8=C8C6=C6C4=C4C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C1=C2C2=C%18C%19=C%20C2=C3C8=C2C%20=C(C%10=C26)C2=C%11C3=C%13C%15=C6C%17=C1C%181C6(C3=C2%19)C2CC1C1=CC=CC=C21)C1=C%16C2=C%14C(=C%124)C5=C2C7=C19

PubChem CID 91972098
CAS 1207461-57-1
Molecular Weight (g/mol) 952.986
MDL Number MFCD20264904
SMILES C1C2C3=CC=CC=C3C1C45C26C7=C8C9=C1C2=C3C8=C8C6=C6C4=C4C%10=C%11C%12=C%13C%14=C%15C%16=C%17C(=C1C1=C2C2=C%18C%19=C%20C2=C3C8=C2C%20=C(C%10=C26)C2=C%11C3=C%13C%15=C6C%17=C1C%181C6(C3=C2%19)C2CC1C1=CC=CC=C21)C1=C%16C2=C%14C(=C%124)C5=C2C7=C19
InChI Key HQCAMIYWHBVPQE-UHFFFAOYSA-N
Molecular Formula C78H16
13

2,3,6,7,10,11-Hexakis(hexyloxy)triphenylene 98.0+%, TCI America™

CAS: 70351-86-9 Molecular Formula: C54H84O6 Molecular Weight (g/mol): 829.26 MDL Number: MFCD16250223 InChI Key: SQYCPYUKCAKHRN-UHFFFAOYSA-N PubChem CID: 10941839 IUPAC Name: 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene SMILES: CCCCCCOC1=C(OCCCCCC)C=C2C(=C1)C1=CC(OCCCCCC)=C(OCCCCCC)C=C1C1=CC(OCCCCCC)=C(OCCCCCC)C=C21

PubChem CID 10941839
CAS 70351-86-9
Molecular Weight (g/mol) 829.26
MDL Number MFCD16250223
SMILES CCCCCCOC1=C(OCCCCCC)C=C2C(=C1)C1=CC(OCCCCCC)=C(OCCCCCC)C=C1C1=CC(OCCCCCC)=C(OCCCCCC)C=C21
IUPAC Name 2,3,6,7,10,11-hexakis(hexyloxy)triphenylene
InChI Key SQYCPYUKCAKHRN-UHFFFAOYSA-N
Molecular Formula C54H84O6
14

Violanthrone 79 95.0+%, TCI America™

CAS: 85652-50-2 Molecular Formula: C50H48O4 Molecular Weight (g/mol): 712.93 MDL Number: MFCD00491570 InChI Key: LLPQZABTDLOYAL-UHFFFAOYSA-N Synonym: violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione PubChem CID: 16217791 SMILES: CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC

PubChem CID 16217791
CAS 85652-50-2
Molecular Weight (g/mol) 712.93
MDL Number MFCD00491570
SMILES CCCCCCCCOC1=C2C3=C(C=CC4=C3C(=C1)C5=CC=CC=C5C4=O)C6=C7C2=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)OCCCCCCCC
Synonym violanthrone-79,violanthrone 79,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy,anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,1,16,17-bis n-octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy-anthra 9,1,2-cde benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde-benzo rst pentaphene-5,10-dione,16,17-bis octyloxy anthra 9,1,2-cde benzo rst pentaphene-5,10-dione
InChI Key LLPQZABTDLOYAL-UHFFFAOYSA-N
Molecular Formula C50H48O4
15

Carnosic Acid (Synthetic) 97.0+%, TCI America™

CAS: 3650-09-7 Molecular Formula: C20H28O4 Molecular Weight (g/mol): 332.44 MDL Number: MFCD02259459 InChI Key: QRYRORQUOLYVBU-VBKZILBWSA-N Synonym: (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid PubChem CID: 65126 ChEBI: CHEBI:65585 IUPAC Name: (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O

PubChem CID 65126
CAS 3650-09-7
Molecular Weight (g/mol) 332.44
ChEBI CHEBI:65585
MDL Number MFCD02259459
SMILES CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O
Synonym (4aR,10aS)-5,6-Dihydroxy-7-isopropyl-1,1-dimethyl-1,2,3,4,4a,9,10,10a-octahydrophenanthrene-4a-carboxylic Acid
IUPAC Name (4aR,10aS)-5,6-dihydroxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid
InChI Key QRYRORQUOLYVBU-VBKZILBWSA-N
Molecular Formula C20H28O4