5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one

C37H27N3O — CID 167485196

IUPAC5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C37H27N3O/c1-39-36-25-30(21-22-35(36)40(37(39)41)32-15-9-4-10-16-32)27-17-19-29(20-18-27)34-24-31(26-11-5-2-6-12-26)23-33(38-34)28-13-7-3-8-14-28/h2-25H,1H3
InChIKeyXYKWVXSGTBYLIA-UHFFFAOYSA-N
MW529.64 g/mol
LogP8.39
Rot. Bonds5

About 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one

5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one (PubChem CID 167485196) has the molecular formula C37H27N3O and a molecular weight of 529.64 g/mol. Its IUPAC name is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one
PubChem CID167485196
Molecular FormulaC37H27N3O
Molecular Weight529.64 g/mol
Exact Mass529.22
IUPAC Name5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21
InChIInChI=1S/C37H27N3O/c1-39-36-25-30(21-22-35(36)40(37(39)41)32-15-9-4-10-16-32)27-17-19-29(20-18-27)34-24-31(26-11-5-2-6-12-26)23-33(38-34)28-13-7-3-8-14-28/h2-25H,1H3
InChIKeyXYKWVXSGTBYLIA-UHFFFAOYSA-N
XLogP8.39
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.64
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-dimethylbenzimidazol-2-one
CID 167485024
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6,9-diphenylcarbazole
CID 58943233
1,3-dimethyl-5-[4-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]phenyl]benzimidazol-2-one
CID 172507309
1-methyl-3-phenyl-5-[3-[6-(2-phenylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 167485505
3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 71286913
3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-9-phenylcarbazole;2-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine;2-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[3-[3-[3-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161363967
3-methyl-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazol-2-one;5-(10-naphthalen-2-ylanthracen-9-yl)-1,3-diphenylbenzimidazol-2-one;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-3-(4-phenylphenyl)benzimidazol-2-one
CID 159251936
3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 161437197
2-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511300
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
CID 172507759
1,3-dimethyl-5-[4-[2-(2-phenylphenyl)-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507457
3-(2,6-diphenyl-4-pyridinyl)-9-phenylcarbazole
CID 70934573

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one?
The IUPAC name of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one (CID 167485196) is 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one is Cn1c(=O)n(-c2ccccc2)c2ccc(-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)cc21.
What is the InChIKey of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one?
The InChIKey is XYKWVXSGTBYLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N3O/c1-39-36-25-30(21-22-35(36)40(37(39)41)32-15-9-4-10-16-32)27-17-19-29(20-18-27)34-24-31(26-11-5-2-6-12-26)23-33(38-34)28-13-7-3-8-14-28/h2-25H,1H3.
What are the key properties of 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one?
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one has a molecular weight of 529.64 g/mol, XLogP of 8.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-3-methyl-1-phenylbenzimidazol-2-one is sourced from PubChem (CID 167485196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).