1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one

C47H33N5O — CID 172507484

About 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one

1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one (PubChem CID 172507484) has the molecular formula C47H33N5O and a molecular weight of 683.82 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one.

Molecular Properties

• Compound Name: 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
• PubChem CID: 172507484
• Molecular Formula: C47H33N5O
• Molecular Weight: 683.82 g/mol
• Exact Mass: 683.27
• IUPAC Name: 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one
• SMILES: Cn1c(=O)n(-c2ccccc2)c2cc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5-c5ccccc5)n4)c3)ccc21
• InChI: InChI=1S/C47H33N5O/c1-51-42-29-28-37(31-43(42)52(47(51)53)39-20-9-4-10-21-39)36-18-13-19-38(30-36)45-48-44(35-26-24-33(25-27-35)32-14-5-2-6-15-32)49-46(50-45)41-23-12-11-22-40(41)34-16-7-3-8-17-34/h2-31H,1H3
• InChIKey: SNNAISQWOXOGMF-UHFFFAOYSA-N
• XLogP: 10.52
• TPSA: 65.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.82
LogP ≤ 5	10.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?

The IUPAC name of 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one (CID 172507484) is 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one.

What is the SMILES notation for 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?

The canonical SMILES for 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one is Cn1c(=O)n(-c2ccccc2)c2cc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccccc5-c5ccccc5)n4)c3)ccc21.

What is the InChIKey of 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?

The InChIKey is SNNAISQWOXOGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N5O/c1-51-42-29-28-37(31-43(42)52(47(51)53)39-20-9-4-10-21-39)36-18-13-19-38(30-36)45-48-44(35-26-24-33(25-27-35)32-14-5-2-6-15-32)49-46(50-45)41-23-12-11-22-40(41)34-16-7-3-8-17-34/h2-31H,1H3.

What are the key properties of 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one?

1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one has a molecular weight of 683.82 g/mol, XLogP of 10.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-phenyl-5-[3-[4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzimidazol-2-one is sourced from PubChem (CID 172507484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).