2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine

C33H21BrN4 — CID 131983194

IUPAC2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc3cc(-c4ccc5ccccc5c4)cnc3n2-c2ccccc2)c1
InChIInChI=1S/C33H21BrN4/c34-29-17-26(25-9-6-14-35-20-25)16-27(18-29)32-37-31-19-28(24-13-12-22-7-4-5-8-23(22)15-24)21-36-33(31)38(32)30-10-2-1-3-11-30/h1-21H
InChIKeyCCSFQCSKBNOCOY-UHFFFAOYSA-N
MW553.46 g/mol
LogP8.73
Rot. Bonds4

About 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine

2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine (PubChem CID 131983194) has the molecular formula C33H21BrN4 and a molecular weight of 553.46 g/mol. Its IUPAC name is 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
PubChem CID131983194
Molecular FormulaC33H21BrN4
Molecular Weight553.46 g/mol
Exact Mass552.09
IUPAC Name2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
SMILESBrc1cc(-c2cccnc2)cc(-c2nc3cc(-c4ccc5ccccc5c4)cnc3n2-c2ccccc2)c1
InChIInChI=1S/C33H21BrN4/c34-29-17-26(25-9-6-14-35-20-25)16-27(18-29)32-37-31-19-28(24-13-12-22-7-4-5-8-23(22)15-24)21-36-33(31)38(32)30-10-2-1-3-11-30/h1-21H
InChIKeyCCSFQCSKBNOCOY-UHFFFAOYSA-N
XLogP8.73
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.46
LogP ≤ 58.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-5-pyridin-3-ylphenyl)-4-naphthalen-2-yl-1-phenylimidazo[4,5-c]pyridine
CID 131983197
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenylimidazo[4,5-b]pyridine
CID 131983038
2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
CID 131983329
9-[3-(4-naphthalen-2-yl-1-phenylimidazo[4,5-c]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole
CID 131983153
CID 89196743
CID 89196743
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1-phenylbenzimidazole;3-[3-[3-phenyl-10-(3-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine;5-[2-phenyl-10-(6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-2-ylpyridine
CID 158885714
2-[3,5-di(anthracen-2-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 142369921
4-[4-[4-[4,5-bis(ethenyl)-1-phenylimidazol-2-yl]phenyl]phenyl]-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 159874205
2-naphthalen-2-yl-4-(4-phenylphenyl)-6-[4-(3-pyridin-3-ylphenyl)phenyl]-1,3,5-triazine
CID 146587202
4-[3-(3,5-dipyridin-3-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]isoquinoline
CID 58479961

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine (CID 131983194) is 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine is Brc1cc(-c2cccnc2)cc(-c2nc3cc(-c4ccc5ccccc5c4)cnc3n2-c2ccccc2)c1.
What is the InChIKey of 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is CCSFQCSKBNOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrN4/c34-29-17-26(25-9-6-14-35-20-25)16-27(18-29)32-37-31-19-28(24-13-12-22-7-4-5-8-23(22)15-24)21-36-33(31)38(32)30-10-2-1-3-11-30/h1-21H.
What are the key properties of 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine?
2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine has a molecular weight of 553.46 g/mol, XLogP of 8.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 131983194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).