2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one

C38H27N5O — CID 169048496

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one
SMILESCc1ccc(C2(C)c3ccccc3C(=O)n3c2nc2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)cc1
InChIInChI=1S/C38H27N5O/c1-24-17-20-28(21-18-24)38(2)30-16-10-9-15-29(30)36(44)43-32-23-27(19-22-31(32)39-37(38)43)35-41-33(25-11-5-3-6-12-25)40-34(42-35)26-13-7-4-8-14-26/h3-23H,1-2H3
InChIKeyZQKHBKKHNFYNAK-UHFFFAOYSA-N
MW569.67 g/mol
LogP7.89
Rot. Bonds4

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one (PubChem CID 169048496) has the molecular formula C38H27N5O and a molecular weight of 569.67 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one
PubChem CID169048496
Molecular FormulaC38H27N5O
Molecular Weight569.67 g/mol
Exact Mass569.22
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one
SMILESCc1ccc(C2(C)c3ccccc3C(=O)n3c2nc2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)cc1
InChIInChI=1S/C38H27N5O/c1-24-17-20-28(21-18-24)38(2)30-16-10-9-15-29(30)36(44)43-32-23-27(19-22-31(32)39-37(38)43)35-41-33(25-11-5-3-6-12-25)40-34(42-35)26-13-7-4-8-14-26/h3-23H,1-2H3
InChIKeyZQKHBKKHNFYNAK-UHFFFAOYSA-N
XLogP7.89
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.67
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[benzimidazolo[1,2-b]isoquinoline-6,9'-fluorene]-11-one
CID 169048631
1,3-dimethyl-5-[4-[4-(9-methyl-9-phenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
CID 172507715
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
2-phenyl-1-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]benzimidazole
CID 118688255
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
2-(9,9-dimethylfluoren-3-yl)-4-methyl-6-phenyl-1,3,5-triazine
CID 168805901
1,3-dimethyl-5-[4-[2-(9-methyl-9-phenylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]benzimidazol-2-one
CID 172507770
2-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1-methylbenzimidazole
CID 118688205
6-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-4-yl]-1,2-diphenylbenzimidazole
CID 118688136
2-[3-[[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(4-methylphenyl)fluoren-9-yl]phenyl]methyl]phenyl]-4-(9-methyl-9-phenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 123496418
2-[(9R)-9-methyl-9-phenylfluoren-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 125479874
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one (CID 169048496) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one is Cc1ccc(C2(C)c3ccccc3C(=O)n3c2nc2ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc23)cc1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one?
The InChIKey is ZQKHBKKHNFYNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N5O/c1-24-17-20-28(21-18-24)38(2)30-16-10-9-15-29(30)36(44)43-32-23-27(19-22-31(32)39-37(38)43)35-41-33(25-11-5-3-6-12-25)40-34(42-35)26-13-7-4-8-14-26/h3-23H,1-2H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one has a molecular weight of 569.67 g/mol, XLogP of 7.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-methyl-6-(4-methylphenyl)benzimidazolo[1,2-b]isoquinolin-11-one is sourced from PubChem (CID 169048496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).