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

C42H30N4O — CID 140865175

IUPAC3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3cccnc3O)n4-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C42H30N4O/c1-28-27-44-38(26-37(28)30-15-7-3-8-16-30)33-24-31(29-13-5-2-6-14-29)23-32(25-33)35-19-11-21-39-40(35)45-41(36-20-12-22-43-42(36)47)46(39)34-17-9-4-10-18-34/h2-27H,1H3,(H,43,47)
InChIKeyXMPGWWCGBJJQRJ-UHFFFAOYSA-N
MW606.73 g/mol
LogP10.16
Rot. Bonds6

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

3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol (PubChem CID 140865175) has the molecular formula C42H30N4O and a molecular weight of 606.73 g/mol. Its IUPAC name is 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol.

Molecular Properties

Compound Name3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
PubChem CID140865175
Molecular FormulaC42H30N4O
Molecular Weight606.73 g/mol
Exact Mass606.24
IUPAC Name3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
SMILESCc1cnc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3cccnc3O)n4-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C42H30N4O/c1-28-27-44-38(26-37(28)30-15-7-3-8-16-30)33-24-31(29-13-5-2-6-14-29)23-32(25-33)35-19-11-21-39-40(35)45-41(36-20-12-22-43-42(36)47)46(39)34-17-9-4-10-18-34/h2-27H,1H3,(H,43,47)
InChIKeyXMPGWWCGBJJQRJ-UHFFFAOYSA-N
XLogP10.16
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 510.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865377
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865435
3-tert-butyl-5-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-4-ol
CID 140865504
4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864359
2-[1-phenyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864165
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
2-[1-phenyl-4-[3-phenyl-5-[5-(1-phenylethyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 164742379
9,9-dimethyl-3-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]fluoren-2-ol
CID 162783267
2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 162783397
4,6-ditert-butyl-2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140864477
2-[4-[3-tert-butyl-5-(4-methyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]phenol
CID 177094142

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol?
The IUPAC name of 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol (CID 140865175) is 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol.
What is the SMILES notation for 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol?
The canonical SMILES for 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol is Cc1cnc(-c2cc(-c3ccccc3)cc(-c3cccc4c3nc(-c3cccnc3O)n4-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol?
The InChIKey is XMPGWWCGBJJQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N4O/c1-28-27-44-38(26-37(28)30-15-7-3-8-16-30)33-24-31(29-13-5-2-6-14-29)23-32(25-33)35-19-11-21-39-40(35)45-41(36-20-12-22-43-42(36)47)46(39)34-17-9-4-10-18-34/h2-27H,1H3,(H,43,47).
What are the key properties of 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol?
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol has a molecular weight of 606.73 g/mol, XLogP of 10.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol is sourced from PubChem (CID 140865175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).