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

C54H34N12 — CID 20606867

IUPAC3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3-c3nc4cccnc4n3-c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C54H34N12/c1-5-17-35(18-6-1)63-47(59-43-25-13-29-55-51(43)63)39-33-41(49-61-45-27-15-31-57-53(45)65(49)37-21-9-3-10-22-37)42(50-62-46-28-16-32-58-54(46)66(50)38-23-11-4-12-24-38)34-40(39)48-60-44-26-14-30-56-52(44)64(48)36-19-7-2-8-20-36/h1-34H
InChIKeyAOBAODXEXNCQDR-UHFFFAOYSA-N
MW850.95 g/mol
LogP11.29
Rot. Bonds8

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

3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine (PubChem CID 20606867) has the molecular formula C54H34N12 and a molecular weight of 850.95 g/mol. Its IUPAC name is 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
PubChem CID20606867
Molecular FormulaC54H34N12
Molecular Weight850.95 g/mol
Exact Mass850.30
IUPAC Name3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3-c3nc4cccnc4n3-c3ccccc3)nc3cccnc32)cc1
InChIInChI=1S/C54H34N12/c1-5-17-35(18-6-1)63-47(59-43-25-13-29-55-51(43)63)39-33-41(49-61-45-27-15-31-57-53(45)65(49)37-21-9-3-10-22-37)42(50-62-46-28-16-32-58-54(46)66(50)38-23-11-4-12-24-38)34-40(39)48-60-44-26-14-30-56-52(44)64(48)36-19-7-2-8-20-36/h1-34H
InChIKeyAOBAODXEXNCQDR-UHFFFAOYSA-N
XLogP11.29
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500850.95
LogP ≤ 511.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 59879728
CID 59879728
3-phenyl-2-[2-(3-phenyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 59866430
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-fluoro-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine
CID 23391315
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
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
CID 58858980
CID 58858980
CID 58803464
CID 58803464
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
2-(2-fluorophenyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 83430661
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

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine (CID 20606867) is 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine is c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)c(-c4nc5cccnc5n4-c4ccccc4)cc3-c3nc4cccnc4n3-c3ccccc3)nc3cccnc32)cc1.
What is the InChIKey of 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
The InChIKey is AOBAODXEXNCQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N12/c1-5-17-35(18-6-1)63-47(59-43-25-13-29-55-51(43)63)39-33-41(49-61-45-27-15-31-57-53(45)65(49)37-21-9-3-10-22-37)42(50-62-46-28-16-32-58-54(46)66(50)38-23-11-4-12-24-38)34-40(39)48-60-44-26-14-30-56-52(44)64(48)36-19-7-2-8-20-36/h1-34H.
What are the key properties of 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine has a molecular weight of 850.95 g/mol, XLogP of 11.29, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 20606867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).