2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine

C36H29N3 — CID 131983020

IUPAC2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine
SMILESC1=C(c2ccccc2)C2=C(NC1)N(c1ccccc1)C(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)N2
InChIInChI=1S/C36H29N3/c1-5-13-26(14-6-1)29-23-30(27-15-7-2-8-16-27)25-31(24-29)35-38-34-33(28-17-9-3-10-18-28)21-22-37-36(34)39(35)32-19-11-4-12-20-32/h1-21,23-25,35,37-38H,22H2
InChIKeyFDKLACQEDCHGHN-UHFFFAOYSA-N
MW503.65 g/mol
LogP7.98
Rot. Bonds5

About 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine

2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine (PubChem CID 131983020) has the molecular formula C36H29N3 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine
PubChem CID131983020
Molecular FormulaC36H29N3
Molecular Weight503.65 g/mol
Exact Mass503.24
IUPAC Name2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine
SMILESC1=C(c2ccccc2)C2=C(NC1)N(c1ccccc1)C(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)N2
InChIInChI=1S/C36H29N3/c1-5-13-26(14-6-1)29-23-30(27-15-7-2-8-16-27)25-31(24-29)35-38-34-33(28-17-9-3-10-18-28)21-22-37-36(34)39(35)32-19-11-4-12-20-32/h1-21,23-25,35,37-38H,22H2
InChIKeyFDKLACQEDCHGHN-UHFFFAOYSA-N
XLogP7.98
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 57.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dibromophenyl)-3-phenyl-7-(2-phenylphenyl)-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine
CID 145377261
2-(3,5-diphenylphenyl)-1,4-diphenyl-2,3-dihydroimidazo[4,5-c]pyridine
CID 131983162
2-[3,5-bis(9,9-dimethylfluoren-3-yl)phenyl]-3,6-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine;ethane
CID 145377212
2-[3-[4-[3-[2-(3-bromophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]phenyl]-5-phenylphenyl]-3,6-diphenyl-1,2-dihydroquinazolin-4-one
CID 145049910
1-phenyl-2-(4-phenylphenyl)-2,3-dihydroquinazolin-4-one
CID 11538084
3-phenyl-2-[3-(3-phenyl-1,2-dihydrobenzimidazol-2-yl)-5-[4-phenyl-2-(3-phenylphenyl)-2H-azet-1-yl]phenyl]-1,2-dihydrobenzimidazole
CID 170071803
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
1,3,5-triphenylbenzene
CID 158331433
3-phenyl-2-(3-phenylphenyl)-6-[10-(4-phenylphenyl)anthracen-9-yl]-1,2-dihydrobenzimidazole
CID 89222158
6-chloro-4-phenyl-1,2-dihydroquinoline
CID 175842137
9-[3-carbazol-9-yl-5-[4-(3,7-diphenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]carbazole
CID 131983164
7,8-diphenyl-6,7-dihydropyrimido[4,5-c]pyridazin-5-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine (CID 131983020) is 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine is C1=C(c2ccccc2)C2=C(NC1)N(c1ccccc1)C(c1cc(-c3ccccc3)cc(-c3ccccc3)c1)N2.
What is the InChIKey of 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine?
The InChIKey is FDKLACQEDCHGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3/c1-5-13-26(14-6-1)29-23-30(27-15-7-2-8-16-27)25-31(24-29)35-38-34-33(28-17-9-3-10-18-28)21-22-37-36(34)39(35)32-19-11-4-12-20-32/h1-21,23-25,35,37-38H,22H2.
What are the key properties of 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine?
2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine has a molecular weight of 503.65 g/mol, XLogP of 7.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-diphenylphenyl)-3,7-diphenyl-1,2,4,5-tetrahydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 131983020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).