4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol

C44H42N4O — CID 140864359

IUPAC4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
SMILESCc1cnc(-c2cccc(-c3cccc4c3nc(-c3nc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C44H42N4O/c1-28-27-45-36(25-34(28)29-16-10-8-11-17-29)31-19-14-18-30(24-31)33-22-15-23-37-39(33)47-42(48(37)32-20-12-9-13-21-32)40-41(49)35(43(2,3)4)26-38(46-40)44(5,6)7/h8-27,49H,1-7H3
InChIKeyNOTRBCPCPVKGDO-UHFFFAOYSA-N
MW642.85 g/mol
LogP11.09
Rot. Bonds5

About 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol

4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol (PubChem CID 140864359) has the molecular formula C44H42N4O and a molecular weight of 642.85 g/mol. Its IUPAC name is 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol.

Molecular Properties

Compound Name4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
PubChem CID140864359
Molecular FormulaC44H42N4O
Molecular Weight642.85 g/mol
Exact Mass642.34
IUPAC Name4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
SMILESCc1cnc(-c2cccc(-c3cccc4c3nc(-c3nc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3)c2)cc1-c1ccccc1
InChIInChI=1S/C44H42N4O/c1-28-27-45-36(25-34(28)29-16-10-8-11-17-29)31-19-14-18-30(24-31)33-22-15-23-37-39(33)47-42(48(37)32-20-12-9-13-21-32)40-41(49)35(43(2,3)4)26-38(46-40)44(5,6)7/h8-27,49H,1-7H3
InChIKeyNOTRBCPCPVKGDO-UHFFFAOYSA-N
XLogP11.09
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.85
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[1-methyl-4-[3-(5-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865247
5-tert-butyl-3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865377
3-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-2-ol
CID 140865175
6-methyl-4-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol
CID 140864229
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
CID 140864343
4,6-ditert-butyl-2-[1-phenyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4,6-ditert-butyl-2-[1-phenyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4,6-ditert-butyl-2-[1-phenyl-4-[3-(5-phenyl-2-pyridinyl)benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-3-ol;4,6-ditert-butyl-2-[1-phenyl-4-(3-phenyl-5-pyridin-2-ylbenzene-6-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum
CID 158183461
2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784151
5-tert-butyl-3-[1-methyl-4-[3-(5-methyl-4-phenyl-2-pyridinyl)-5-phenylphenyl]benzimidazol-2-yl]pyridin-2-ol
CID 140864201
2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864711
2-[1-phenyl-4-[3-phenyl-5-(4-phenyl-5-trimethylsilyl-2-pyridinyl)phenyl]benzimidazol-2-yl]pyridin-3-ol
CID 140865435

Frequently Asked Questions

What is the IUPAC name of 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol?
The IUPAC name of 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol (CID 140864359) is 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol.
What is the SMILES notation for 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol?
The canonical SMILES for 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol is Cc1cnc(-c2cccc(-c3cccc4c3nc(-c3nc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3)c2)cc1-c1ccccc1.
What is the InChIKey of 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol?
The InChIKey is NOTRBCPCPVKGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H42N4O/c1-28-27-45-36(25-34(28)29-16-10-8-11-17-29)31-19-14-18-30(24-31)33-22-15-23-37-39(33)47-42(48(37)32-20-12-9-13-21-32)40-41(49)35(43(2,3)4)26-38(46-40)44(5,6)7/h8-27,49H,1-7H3.
What are the key properties of 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol?
4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol has a molecular weight of 642.85 g/mol, XLogP of 11.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-ditert-butyl-2-[4-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]pyridin-3-ol is sourced from PubChem (CID 140864359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).