2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol

C53H43N3O — CID 153479313

About 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol

2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 153479313) has the molecular formula C53H43N3O and a molecular weight of 740.97 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 153479313
• Molecular Formula: C53H43N3O
• Molecular Weight: 740.97 g/mol
• Exact Mass: 740.36
• IUPAC Name: 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(-c5ccccc5)cc4C(C)(C)C)c3)c2)cc1
• InChI: InChI=1S/C53H43N3O/c1-35-22-24-38(25-23-35)40-28-29-54-47(34-40)43-31-41(37-16-9-6-10-17-37)30-42(32-43)44-19-13-20-49-51(44)55-52(45-18-11-12-21-50(45)57)56(49)48-27-26-39(33-46(48)53(2,3)4)36-14-7-5-8-15-36/h5-34,57H,1-4H3/i1D3
• InChIKey: FIBDWIOXFKKQOH-FIBGUPNXSA-N
• XLogP: 13.73
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.97
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (CID 153479313) is 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3cc(-c4ccccc4)cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(-c5ccccc5)cc4C(C)(C)C)c3)c2)cc1.

What is the InChIKey of 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?

The InChIKey is FIBDWIOXFKKQOH-FIBGUPNXSA-N. The full InChI is InChI=1S/C53H43N3O/c1-35-22-24-38(25-23-35)40-28-29-54-47(34-40)43-31-41(37-16-9-6-10-17-37)30-42(32-43)44-19-13-20-49-51(44)55-52(45-18-11-12-21-50(45)57)56(49)48-27-26-39(33-46(48)53(2,3)4)36-14-7-5-8-15-36/h5-34,57H,1-4H3/i1D3.

What are the key properties of 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol?

2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 740.97 g/mol, XLogP of 13.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-phenyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 153479313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).