1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole

C64H49N3O — CID 167355185

About 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole

1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole (PubChem CID 167355185) has the molecular formula C64H49N3O and a molecular weight of 879.13 g/mol. Its IUPAC name is 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
• PubChem CID: 167355185
• Molecular Formula: C64H49N3O
• Molecular Weight: 879.13 g/mol
• Exact Mass: 878.41
• IUPAC Name: 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole
• SMILES: [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3OC)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cccc32)cc1-c1ccccc1
• InChI: InChI=1S/C64H49N3O/c1-42-34-44(3)63(68-4)58(35-42)64-66-62-55(26-17-27-60(62)67(64)61-41-56(49-22-13-7-14-23-49)43(2)36-57(61)50-24-15-8-16-25-50)53-37-52(46-20-11-6-12-21-46)38-54(39-53)59-40-51(32-33-65-59)48-30-28-47(29-31-48)45-18-9-5-10-19-45/h5-41H,1-4H3/i2D3
• InChIKey: MIDWILNWICGZIC-BMSJAHLVSA-N
• XLogP: 16.69
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	879.13
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?

The IUPAC name of 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole (CID 167355185) is 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole.

What is the SMILES notation for 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?

The canonical SMILES for 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole is [2H]C([2H])([2H])c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3OC)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cccc32)cc1-c1ccccc1.

What is the InChIKey of 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?

The InChIKey is MIDWILNWICGZIC-BMSJAHLVSA-N. The full InChI is InChI=1S/C64H49N3O/c1-42-34-44(3)63(68-4)58(35-42)64-66-62-55(26-17-27-60(62)67(64)61-41-56(49-22-13-7-14-23-49)43(2)36-57(61)50-24-15-8-16-25-50)53-37-52(46-20-11-6-12-21-46)38-54(39-53)59-40-51(32-33-65-59)48-30-28-47(29-31-48)45-18-9-5-10-19-45/h5-41H,1-4H3/i2D3.

What are the key properties of 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole?

1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole has a molecular weight of 879.13 g/mol, XLogP of 16.69, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2,5-diphenyl-4-(trideuteriomethyl)phenyl]-2-(2-methoxy-3,5-dimethylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazole is sourced from PubChem (CID 167355185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).