3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine

C34H22N8 — CID 59336473

IUPAC3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc(-c3nc4cccnc4n3-c3ccccc3)cc(-c3nc4cccnc4n3-c3ccccc3)n2)cc1
InChIInChI=1S/C34H22N8/c1-4-12-23(13-5-1)30-37-28(33-39-26-18-10-20-35-31(26)41(33)24-14-6-2-7-15-24)22-29(38-30)34-40-27-19-11-21-36-32(27)42(34)25-16-8-3-9-17-25/h1-22H
InChIKeyULEMDPOVUOHKSA-UHFFFAOYSA-N
MW542.61 g/mol
LogP6.95
Rot. Bonds5

About 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine

3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine (PubChem CID 59336473) has the molecular formula C34H22N8 and a molecular weight of 542.61 g/mol. Its IUPAC name is 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
PubChem CID59336473
Molecular FormulaC34H22N8
Molecular Weight542.61 g/mol
Exact Mass542.20
IUPAC Name3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc(-c3nc4cccnc4n3-c3ccccc3)cc(-c3nc4cccnc4n3-c3ccccc3)n2)cc1
InChIInChI=1S/C34H22N8/c1-4-12-23(13-5-1)30-37-28(33-39-26-18-10-20-35-31(26)41(33)24-14-6-2-7-15-24)22-29(38-30)34-40-27-19-11-21-36-32(27)42(34)25-16-8-3-9-17-25/h1-22H
InChIKeyULEMDPOVUOHKSA-UHFFFAOYSA-N
XLogP6.95
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.61
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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2-naphthalen-2-yl-3-phenylimidazo[4,5-b]pyridine
CID 23527790
2-[3-bromo-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391310
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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
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CID 58858980
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
10-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-9H-acridine
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CID 59879728
CID 59879728
2-[2,5-bis[3-(4-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]-4-[3-(4-phenylphenyl)imidazo[4,5-c]pyridin-2-yl]phenyl]-3-(4-phenylphenyl)imidazo[4,5-b]pyridine
CID 58803402
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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine (CID 59336473) is 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine is c1ccc(-c2nc(-c3nc4cccnc4n3-c3ccccc3)cc(-c3nc4cccnc4n3-c3ccccc3)n2)cc1.
What is the InChIKey of 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine?
The InChIKey is ULEMDPOVUOHKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N8/c1-4-12-23(13-5-1)30-37-28(33-39-26-18-10-20-35-31(26)41(33)24-14-6-2-7-15-24)22-29(38-30)34-40-27-19-11-21-36-32(27)42(34)25-16-8-3-9-17-25/h1-22H.
What are the key properties of 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine?
3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine has a molecular weight of 542.61 g/mol, XLogP of 6.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[2-phenyl-6-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyrimidin-4-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 59336473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).