9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

C43H30N4 — CID 58037872

IUPAC9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)C2C=C1
InChIInChI=1S/C43H30N4/c1-2-14-30(15-3-1)47-42-25-13-8-20-37(42)44-43(47)29-26-31(45-38-21-9-4-16-33(38)34-17-5-10-22-39(34)45)28-32(27-29)46-40-23-11-6-18-35(40)36-19-7-12-24-41(36)46/h1-28,33,38H
InChIKeySOOQZNDMINWPMR-UHFFFAOYSA-N
MW602.74 g/mol
LogP10.52
Rot. Bonds4

About 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole

9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (PubChem CID 58037872) has the molecular formula C43H30N4 and a molecular weight of 602.74 g/mol. Its IUPAC name is 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
PubChem CID58037872
Molecular FormulaC43H30N4
Molecular Weight602.74 g/mol
Exact Mass602.25
IUPAC Name9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
SMILESC1=CC2c3ccccc3N(c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)C2C=C1
InChIInChI=1S/C43H30N4/c1-2-14-30(15-3-1)47-42-25-13-8-20-37(42)44-43(47)29-26-31(45-38-21-9-4-16-33(38)34-17-5-10-22-39(34)45)28-32(27-29)46-40-23-11-6-18-35(40)36-19-7-12-24-41(36)46/h1-28,33,38H
InChIKeySOOQZNDMINWPMR-UHFFFAOYSA-N
XLogP10.52
TPSA25.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.74
LogP ≤ 510.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]carbazole
CID 155323557
3-(4a,9a-dihydrocarbazol-9-yl)-5-(3-carbazol-9-yl-5-cyanophenyl)benzonitrile
CID 165401491
CID 165050993
CID 165050993
1-[4-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 166796406
9-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(3,4,4a,9a-tetrahydrocarbazol-9-yl)phenyl]-5-carbazol-9-ylphenyl]carbazole
CID 70916078
3-[3-[3-(4a,9a-dihydrocarbazol-9-yl)-5-carbazol-9-ylphenyl]phenyl]-1-phenylbenzo[f]quinoline
CID 149445182
3-[3-[2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 126493490
4-(4a,9a-dihydrocarbazol-9-yl)-9-[3-[4-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134187059
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
9-[4-[6-[3-carbazol-9-yl-5-(1-phenylbenzimidazol-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 58500865
9-phenyl-2-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 144596228
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The IUPAC name of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole (CID 58037872) is 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole.
What is the SMILES notation for 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The canonical SMILES for 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is C1=CC2c3ccccc3N(c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)C2C=C1.
What is the InChIKey of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
The InChIKey is SOOQZNDMINWPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N4/c1-2-14-30(15-3-1)47-42-25-13-8-20-37(42)44-43(47)29-26-31(45-38-21-9-4-16-33(38)34-17-5-10-22-39(34)45)28-32(27-29)46-40-23-11-6-18-35(40)36-19-7-12-24-41(36)46/h1-28,33,38H.
What are the key properties of 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole?
9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole has a molecular weight of 602.74 g/mol, XLogP of 10.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4a,9a-dihydrocarbazol-9-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazole is sourced from PubChem (CID 58037872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).