9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole

C49H32N6 — CID 144769427

IUPAC9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccnc5n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H32N6/c1-3-13-35(14-4-1)47-51-41-19-9-12-22-44(41)53(47)38-29-27-34(28-30-38)33-23-25-36(26-24-33)48-52-46-45(31-32-50-49(46)54(48)37-15-5-2-6-16-37)55-42-20-10-7-17-39(42)40-18-8-11-21-43(40)55/h1-32H
InChIKeyJSCNBSOTORXTCX-UHFFFAOYSA-N
MW704.84 g/mol
LogP11.86
Rot. Bonds6

About 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole

9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole (PubChem CID 144769427) has the molecular formula C49H32N6 and a molecular weight of 704.84 g/mol. Its IUPAC name is 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole.

Molecular Properties

Compound Name9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole
PubChem CID144769427
Molecular FormulaC49H32N6
Molecular Weight704.84 g/mol
Exact Mass704.27
IUPAC Name9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccnc5n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C49H32N6/c1-3-13-35(14-4-1)47-51-41-19-9-12-22-44(41)53(47)38-29-27-34(28-30-38)33-23-25-36(26-24-33)48-52-46-45(31-32-50-49(46)54(48)37-15-5-2-6-16-37)55-42-20-10-7-17-39(42)40-18-8-11-21-43(40)55/h1-32H
InChIKeyJSCNBSOTORXTCX-UHFFFAOYSA-N
XLogP11.86
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.84
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole
CID 144769349
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
11-phenyl-12-[4-(2-phenylbenzimidazol-1-yl)phenyl]indolo[2,3-a]carbazole
CID 90324561
10-(2,3-diphenylimidazo[4,5-b]pyridin-7-yl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 144769426
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
9-[4-(1-quinolin-8-ylbenzimidazol-2-yl)phenyl]carbazole
CID 21356976
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 121307195
3,6-diphenyl-9-[4-(2-phenylbenzimidazol-1-yl)phenyl]carbazole
CID 123380544
9-[2-(4,6-diphenyl-2-pyridinyl)-4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 163531483
5,8-bis[4-(2-phenylbenzimidazol-1-yl)phenyl]quinoxaline
CID 138705106
9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911

Frequently Asked Questions

What is the IUPAC name of 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole?
The IUPAC name of 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole (CID 144769427) is 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole.
What is the SMILES notation for 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole?
The canonical SMILES for 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole is c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccnc5n4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole?
The InChIKey is JSCNBSOTORXTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N6/c1-3-13-35(14-4-1)47-51-41-19-9-12-22-44(41)53(47)38-29-27-34(28-30-38)33-23-25-36(26-24-33)48-52-46-45(31-32-50-49(46)54(48)37-15-5-2-6-16-37)55-42-20-10-7-17-39(42)40-18-8-11-21-43(40)55/h1-32H.
What are the key properties of 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole?
9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole has a molecular weight of 704.84 g/mol, XLogP of 11.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole is sourced from PubChem (CID 144769427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).