7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine

C36H24ClN3 — CID 142723391

IUPAC7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine
SMILESClc1ccnc2c1nc(-c1ccccc1)n2-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C36H24ClN3/c37-33-19-20-38-36-34(33)39-35(27-15-8-3-9-16-27)40(36)32-18-10-17-28(24-32)31-22-29(25-11-4-1-5-12-25)21-30(23-31)26-13-6-2-7-14-26/h1-24H
InChIKeyPKVPTUHAMPFVRS-UHFFFAOYSA-N
MW534.06 g/mol
LogP9.74
Rot. Bonds5

About 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine

7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine (PubChem CID 142723391) has the molecular formula C36H24ClN3 and a molecular weight of 534.06 g/mol. Its IUPAC name is 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine
PubChem CID142723391
Molecular FormulaC36H24ClN3
Molecular Weight534.06 g/mol
Exact Mass533.17
IUPAC Name7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine
SMILESClc1ccnc2c1nc(-c1ccccc1)n2-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1
InChIInChI=1S/C36H24ClN3/c37-33-19-20-38-36-34(33)39-35(27-15-8-3-9-16-27)40(36)32-18-10-17-28(24-32)31-22-29(25-11-4-1-5-12-25)21-30(23-31)26-13-6-2-7-14-26/h1-24H
InChIKeyPKVPTUHAMPFVRS-UHFFFAOYSA-N
XLogP9.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.06
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
CID 131983329
9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole
CID 144769349
2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine
CID 131983224
2-phenyl-3-[3-(9-phenylpyrido[2,3-b]indol-6-yl)phenyl]phenanthro[9,10-d]imidazole
CID 126500750
2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781227
9-[3-phenyl-2-[4-[4-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]imidazo[4,5-b]pyridin-7-yl]carbazole
CID 144769427
3-(2,6-dimethylphenyl)-2-[4-[4-[4-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-methylphenyl)-2-[3-[3-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[3-[4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 160859064
4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864541
2-[4-[4-(3,7-diphenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-4,6-diphenyl-[1,3,5]triazino[2,1-a]isoindole
CID 169053664
3-(3-phenylphenyl)-2-[3-[3-(3-phenylphenyl)-1H-imidazo[4,5-b]pyridin-3-ium-2-yl]-5-[3-(3-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]imidazo[4,5-b]pyridine
CID 140857928
5,8-bis[4-[1-(3-phenylphenyl)benzimidazol-2-yl]phenyl]quinoline
CID 138705115
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-(3-phenylphenyl)benzimidazole
CID 155173937

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine (CID 142723391) is 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine is Clc1ccnc2c1nc(-c1ccccc1)n2-c1cccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1.
What is the InChIKey of 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine?
The InChIKey is PKVPTUHAMPFVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24ClN3/c37-33-19-20-38-36-34(33)39-35(27-15-8-3-9-16-27)40(36)32-18-10-17-28(24-32)31-22-29(25-11-4-1-5-12-25)21-30(23-31)26-13-6-2-7-14-26/h1-24H.
What are the key properties of 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine?
7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine has a molecular weight of 534.06 g/mol, XLogP of 9.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 142723391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).