9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole

C47H31N5 — CID 144769349

IUPAC9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccnc5n4-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N5/c1-4-14-33(15-5-1)40-30-36(31-41(49-40)34-16-6-2-7-17-34)32-24-26-35(27-25-32)46-50-45-44(28-29-48-47(45)51(46)37-18-8-3-9-19-37)52-42-22-12-10-20-38(42)39-21-11-13-23-43(39)52/h1-31H
InChIKeySXVVFOAKKQSOHA-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.58
Rot. Bonds6

About 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole

9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole (PubChem CID 144769349) has the molecular formula C47H31N5 and a molecular weight of 665.80 g/mol. Its IUPAC name is 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole.

Molecular Properties

Compound Name9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole
PubChem CID144769349
Molecular FormulaC47H31N5
Molecular Weight665.80 g/mol
Exact Mass665.26
IUPAC Name9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccnc5n4-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C47H31N5/c1-4-14-33(15-5-1)40-30-36(31-41(49-40)34-16-6-2-7-17-34)32-24-26-35(27-25-32)46-50-45-44(28-29-48-47(45)51(46)37-18-8-3-9-19-37)52-42-22-12-10-20-38(42)39-21-11-13-23-43(39)52/h1-31H
InChIKeySXVVFOAKKQSOHA-UHFFFAOYSA-N
XLogP11.58
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole?
The IUPAC name of 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole (CID 144769349) is 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole.
What is the SMILES notation for 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole?
The canonical SMILES for 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole is c1ccc(-c2cc(-c3ccc(-c4nc5c(-n6c7ccccc7c7ccccc76)ccnc5n4-c4ccccc4)cc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole?
The InChIKey is SXVVFOAKKQSOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H31N5/c1-4-14-33(15-5-1)40-30-36(31-41(49-40)34-16-6-2-7-17-34)32-24-26-35(27-25-32)46-50-45-44(28-29-48-47(45)51(46)37-18-8-3-9-19-37)52-42-22-12-10-20-38(42)39-21-11-13-23-43(39)52/h1-31H.
What are the key properties of 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole?
9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole has a molecular weight of 665.80 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-3-phenylimidazo[4,5-b]pyridin-7-yl]carbazole is sourced from PubChem (CID 144769349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).