3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole

C43H29N3 — CID 123380544

IUPAC3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)cc1
InChIInChI=1S/C43H29N3/c1-4-12-30(13-5-1)33-20-26-40-37(28-33)38-29-34(31-14-6-2-7-15-31)21-27-41(38)45(40)35-22-24-36(25-23-35)46-42-19-11-10-18-39(42)44-43(46)32-16-8-3-9-17-32/h1-29H
InChIKeyJWVBQGPZAVFTLO-UHFFFAOYSA-N
MW587.73 g/mol
LogP11.12
Rot. Bonds5

About 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole

3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole (PubChem CID 123380544) has the molecular formula C43H29N3 and a molecular weight of 587.73 g/mol. Its IUPAC name is 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
PubChem CID123380544
Molecular FormulaC43H29N3
Molecular Weight587.73 g/mol
Exact Mass587.24
IUPAC Name3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)cc1
InChIInChI=1S/C43H29N3/c1-4-12-30(13-5-1)33-20-26-40-37(28-33)38-29-34(31-14-6-2-7-15-31)21-27-41(38)45(40)35-22-24-36(25-23-35)46-42-19-11-10-18-39(42)44-43(46)32-16-8-3-9-17-32/h1-29H
InChIKeyJWVBQGPZAVFTLO-UHFFFAOYSA-N
XLogP11.12
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.73
LogP ≤ 511.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
3,9-diphenyl-6-[4-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-4-yl]carbazol-9-yl]carbazole
CID 88866647
9-phenyl-3-[7-(1-phenylbenzimidazol-2-yl)triphenylen-2-yl]carbazole
CID 169294130
1-[4-(9,10-diphenylanthracen-2-yl)phenyl]-2-phenylbenzimidazole
CID 58953815
3,6-ditert-butyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 102188971
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
9-ethyl-3,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 132521570
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
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
2-[4-(9,10-diphenylanthracen-2-yl)phenyl]-1-phenylbenzimidazole
CID 20771538
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole (CID 123380544) is 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc(-n3c(-c4ccccc4)nc4ccccc43)cc2)cc1.
What is the InChIKey of 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
The InChIKey is JWVBQGPZAVFTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H29N3/c1-4-12-30(13-5-1)33-20-26-40-37(28-33)38-29-34(31-14-6-2-7-15-31)21-27-41(38)45(40)35-22-24-36(25-23-35)46-42-19-11-10-18-39(42)44-43(46)32-16-8-3-9-17-32/h1-29H.
What are the key properties of 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole?
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole has a molecular weight of 587.73 g/mol, XLogP of 11.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 123380544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).