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

C30H19BrN6 — CID 23391310

IUPAC2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
SMILESBrc1cc(-c2nc3cccnc3n2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1
InChIInChI=1S/C30H19BrN6/c31-22-18-20(27-34-25-13-7-15-32-29(25)36(27)23-9-3-1-4-10-23)17-21(19-22)28-35-26-14-8-16-33-30(26)37(28)24-11-5-2-6-12-24/h1-19H
InChIKeyXOKXLZSCMGBEHR-UHFFFAOYSA-N
MW543.43 g/mol
LogP7.25
Rot. Bonds4

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

2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine (PubChem CID 23391310) has the molecular formula C30H19BrN6 and a molecular weight of 543.43 g/mol. Its IUPAC name is 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
PubChem CID23391310
Molecular FormulaC30H19BrN6
Molecular Weight543.43 g/mol
Exact Mass542.09
IUPAC Name2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
SMILESBrc1cc(-c2nc3cccnc3n2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1
InChIInChI=1S/C30H19BrN6/c31-22-18-20(27-34-25-13-7-15-32-29(25)36(27)23-9-3-1-4-10-23)17-21(19-22)28-35-26-14-8-16-33-30(26)37(28)24-11-5-2-6-12-24/h1-19H
InChIKeyXOKXLZSCMGBEHR-UHFFFAOYSA-N
XLogP7.25
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.43
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867
2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
10-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-9H-acridine
CID 134165982
3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-5-(1-phenylpyrazolo[5,4-b]pyridin-2-ium-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 59016975
3-phenyl-2-[4-[10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]anthracen-9-yl]phenyl]imidazo[4,5-b]pyridine
CID 23391355
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
CID 59336473
2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-cyclohexa-1,3-dien-1-ylimidazo[4,5-b]pyridine
CID 163874887
3-phenyl-2-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)-5-pyren-4-ylphenyl]imidazo[4,5-b]pyridine
CID 23391353
2-(3-bromo-5-pyridin-3-ylphenyl)-6-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 131983194
9,10,11,12-tetraphenyl-22-(3-phenylimidazo[4,5-b]pyridin-2-yl)-3,6,15,18-tetrazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 58732005
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine (CID 23391310) is 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine is Brc1cc(-c2nc3cccnc3n2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2)c1.
What is the InChIKey of 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is XOKXLZSCMGBEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrN6/c31-22-18-20(27-34-25-13-7-15-32-29(25)36(27)23-9-3-1-4-10-23)17-21(19-22)28-35-26-14-8-16-33-30(26)37(28)24-11-5-2-6-12-24/h1-19H.
What are the key properties of 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine?
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine has a molecular weight of 543.43 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23391310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).