6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one

C38H25N3O — CID 163539997

IUPAC6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c3ccccc3nc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C38H25N3O/c42-37-33-15-7-9-17-35(33)41-36-18-10-8-16-34(36)39-38(41)40(37)32-21-19-28(20-22-32)31-24-29(26-11-3-1-4-12-26)23-30(25-31)27-13-5-2-6-14-27/h1-25H
InChIKeyFAHJTJMGOHVYPS-UHFFFAOYSA-N
MW539.64 g/mol
LogP8.79
Rot. Bonds4

About 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one

6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 163539997) has the molecular formula C38H25N3O and a molecular weight of 539.64 g/mol. Its IUPAC name is 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
PubChem CID163539997
Molecular FormulaC38H25N3O
Molecular Weight539.64 g/mol
Exact Mass539.20
IUPAC Name6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one
SMILESO=c1c2ccccc2n2c3ccccc3nc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C38H25N3O/c42-37-33-15-7-9-17-35(33)41-36-18-10-8-16-34(36)39-38(41)40(37)32-21-19-28(20-22-32)31-24-29(26-11-3-1-4-12-26)23-30(25-31)27-13-5-2-6-14-27/h1-25H
InChIKeyFAHJTJMGOHVYPS-UHFFFAOYSA-N
XLogP8.79
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.64
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
14-(4-carbazol-9-ylphenyl)-1,3,10,18-tetrazahexacyclo[15.8.0.02,10.04,9.011,16.019,24]pentacosa-2,4,6,8,11(16),12,14,17,19,21,23-undecaen-25-one
CID 165126101
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(9-phenylcarbazol-3-yl)benzimidazolo[1,2-a]quinazolin-5-one
CID 163720312
ethane;6-phenyl-3-(9-phenylcarbazol-3-yl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863036
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
6-(3-chlorophenyl)quinazolino[2,1-b]quinazoline-5,12-dione
CID 156863089
11-phenyl-6-(4-phenylphenyl)isoindolo[2,1-a]quinazolin-5-one
CID 163585676
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
2-[3-(4-oxo-3-phenylquinazolin-2-yl)-5-phenylphenyl]-3-phenylquinazolin-4-one
CID 121247434

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one (CID 163539997) is 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one is O=c1c2ccccc2n2c3ccccc3nc2n1-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is FAHJTJMGOHVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3O/c42-37-33-15-7-9-17-35(33)41-36-18-10-8-16-34(36)39-38(41)40(37)32-21-19-28(20-22-32)31-24-29(26-11-3-1-4-12-26)23-30(25-31)27-13-5-2-6-14-27/h1-25H.
What are the key properties of 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one?
6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one has a molecular weight of 539.64 g/mol, XLogP of 8.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,5-diphenylphenyl)phenyl]benzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 163539997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).