2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol

C47H32N4O — CID 140864165

IUPAC2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
SMILESOc1cccnc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C47H32N4O/c52-44-20-11-26-49-46(44)47-50-45-41(18-10-19-43(45)51(47)40-16-8-3-9-17-40)38-28-37(33-14-6-2-7-15-33)29-39(30-38)42-31-36(25-27-48-42)35-23-21-34(22-24-35)32-12-4-1-5-13-32/h1-31,52H
InChIKeyGRNFXGAKOVXXLR-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.52
Rot. Bonds7

About 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol

2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol (PubChem CID 140864165) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
PubChem CID140864165
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
SMILESOc1cccnc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc2n1-c1ccccc1
InChIInChI=1S/C47H32N4O/c52-44-20-11-26-49-46(44)47-50-45-41(18-10-19-43(45)51(47)40-16-8-3-9-17-40)38-28-37(33-14-6-2-7-15-33)29-39(30-38)42-31-36(25-27-48-42)35-23-21-34(22-24-35)32-12-4-1-5-13-32/h1-31,52H
InChIKeyGRNFXGAKOVXXLR-UHFFFAOYSA-N
XLogP11.52
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol with MolForge

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Related Compounds

2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865435
2-[1-(4-benzylphenyl)-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 164742712
2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864857
2,4-dimethyl-6-[1-(3-methyl-5-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 163964316
2-[3-phenyl-7-[3-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864017
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865175
2-[1-phenyl-4-[9-phenyl-2-[4-(4-phenylphenyl)-2-pyridinyl]carbazol-4-yl]benzimidazol-2-yl]phenol
CID 162783149
2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 140864557
2-tert-butyl-6-[1-phenyl-4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]imidazo[4,5-c]pyridin-2-yl]phenol
CID 140865149
3-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]dibenzofuran-2-ol
CID 162783614
2-[4-[9,9-dimethyl-2-[4-(4-phenylphenyl)-2-pyridinyl]fluoren-4-yl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783135
2,4-dimethyl-6-[4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]-1-[3-phenyl-5-(trideuteriomethyl)phenyl]benzimidazol-2-yl]phenol
CID 153481312

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol?
The IUPAC name of 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol (CID 140864165) is 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol?
The canonical SMILES for 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol is Oc1cccnc1-c1nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc2n1-c1ccccc1.
What is the InChIKey of 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol?
The InChIKey is GRNFXGAKOVXXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c52-44-20-11-26-49-46(44)47-50-45-41(18-10-19-43(45)51(47)40-16-8-3-9-17-40)38-28-37(33-14-6-2-7-15-33)29-39(30-38)42-31-36(25-27-48-42)35-23-21-34(22-24-35)32-12-4-1-5-13-32/h1-31,52H.
What are the key properties of 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol?
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol has a molecular weight of 668.80 g/mol, XLogP of 11.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 140864165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).