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

C42H27BrN6 — CID 23391309

IUPAC2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
SMILESBrc1cc(-c2nc3cccnc3n2-c2ccccc2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C42H27BrN6/c43-32-26-30(39-46-35-19-11-23-44-41(35)48(39)37-21-9-7-17-33(37)28-13-3-1-4-14-28)25-31(27-32)40-47-36-20-12-24-45-42(36)49(40)38-22-10-8-18-34(38)29-15-5-2-6-16-29/h1-27H
InChIKeyMXDFQYHRNMQZMV-UHFFFAOYSA-N
MW695.62 g/mol
LogP10.58
Rot. Bonds6

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

2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (PubChem CID 23391309) has the molecular formula C42H27BrN6 and a molecular weight of 695.62 g/mol. Its IUPAC name is 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
PubChem CID23391309
Molecular FormulaC42H27BrN6
Molecular Weight695.62 g/mol
Exact Mass694.15
IUPAC Name2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine
SMILESBrc1cc(-c2nc3cccnc3n2-c2ccccc2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C42H27BrN6/c43-32-26-30(39-46-35-19-11-23-44-41(35)48(39)37-21-9-7-17-33(37)28-13-3-1-4-14-28)25-31(27-32)40-47-36-20-12-24-45-42(36)49(40)38-22-10-8-18-34(38)29-15-5-2-6-16-29/h1-27H
InChIKeyMXDFQYHRNMQZMV-UHFFFAOYSA-N
XLogP10.58
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.62
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 57398746
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CID 57400415
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6-bromo-N-(2-methylphenyl)-2-pyridin-4-yl-3-imidazo[1,2-a]pyridinamine
CID 7106785
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CID 10091150
3-[2-[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]ethyl]-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10478334

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (CID 23391309) is 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is Brc1cc(-c2nc3cccnc3n2-c2ccccc2-c2ccccc2)cc(-c2nc3cccnc3n2-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
The InChIKey is MXDFQYHRNMQZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27BrN6/c43-32-26-30(39-46-35-19-11-23-44-41(35)48(39)37-21-9-7-17-33(37)28-13-3-1-4-14-28)25-31(27-32)40-47-36-20-12-24-45-42(36)49(40)38-22-10-8-18-34(38)29-15-5-2-6-16-29/h1-27H.
What are the key properties of 2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine?
2-[3-bromo-5-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine has a molecular weight of 695.62 g/mol, XLogP of 10.58, 6 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-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).