2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine

C44H29N3 — CID 131983329

IUPAC2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccnc3c2nc(-c2cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c2)n3-c2ccccc2)cc1
InChIInChI=1S/C44H29N3/c1-3-13-32(14-4-1)41-23-24-45-44-42(41)46-43(47(44)40-17-5-2-6-18-40)39-28-37(35-21-19-30-11-7-9-15-33(30)25-35)27-38(29-39)36-22-20-31-12-8-10-16-34(31)26-36/h1-29H
InChIKeySBXLYHZARAKXFS-UHFFFAOYSA-N
MW599.74 g/mol
LogP11.39
Rot. Bonds5

About 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine

2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine (PubChem CID 131983329) has the molecular formula C44H29N3 and a molecular weight of 599.74 g/mol. Its IUPAC name is 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
PubChem CID131983329
Molecular FormulaC44H29N3
Molecular Weight599.74 g/mol
Exact Mass599.24
IUPAC Name2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine
SMILESc1ccc(-c2ccnc3c2nc(-c2cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c2)n3-c2ccccc2)cc1
InChIInChI=1S/C44H29N3/c1-3-13-32(14-4-1)41-23-24-45-44-42(41)46-43(47(44)40-17-5-2-6-18-40)39-28-37(35-21-19-30-11-7-9-15-33(30)25-35)27-38(29-39)36-22-20-31-12-8-10-16-34(31)26-36/h1-29H
InChIKeySBXLYHZARAKXFS-UHFFFAOYSA-N
XLogP11.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.74
LogP ≤ 511.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
7-chloro-3-[3-(3,5-diphenylphenyl)phenyl]-2-phenylimidazo[4,5-b]pyridine
CID 142723391
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
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-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 131983194
2-(3-bromo-5-pyridin-3-ylphenyl)-4-naphthalen-2-yl-1-phenylimidazo[4,5-c]pyridine
CID 131983197
2-(3,5-diphenylphenyl)-1,4-diphenylimidazo[4,5-c]pyridine
CID 131983224
2-naphthalen-2-yl-1-phenylpyrrolo[2,3-b]pyridine
CID 139192071
9-[3-(4-naphthalen-2-yl-1-phenylimidazo[4,5-c]pyridin-2-yl)-5-pyridin-3-ylphenyl]carbazole
CID 131983153
9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole
CID 144769349
9-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenylindolo[3,2-b]quinoxaline
CID 162702048
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864343

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine (CID 131983329) is 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine is c1ccc(-c2ccnc3c2nc(-c2cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c2)n3-c2ccccc2)cc1.
What is the InChIKey of 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine?
The InChIKey is SBXLYHZARAKXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3/c1-3-13-32(14-4-1)41-23-24-45-44-42(41)46-43(47(44)40-17-5-2-6-18-40)39-28-37(35-21-19-30-11-7-9-15-33(30)25-35)27-38(29-39)36-22-20-31-12-8-10-16-34(31)26-36/h1-29H.
What are the key properties of 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine?
2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine has a molecular weight of 599.74 g/mol, XLogP of 11.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dinaphthalen-2-ylphenyl)-3,7-diphenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 131983329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).