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

C55H55N3O — CID 153476872

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

2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 153476872) has the molecular formula C55H55N3O and a molecular weight of 777.08 g/mol. Its IUPAC name is 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 153476872
• Molecular Formula: C55H55N3O
• Molecular Weight: 777.08 g/mol
• Exact Mass: 776.45
• IUPAC Name: 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)c3)c2)cc1
• InChI: InChI=1S/C55H55N3O/c1-35-18-20-36(21-19-35)38-28-29-56-47(33-38)40-30-39(31-43(32-40)55(8,9)10)45-15-13-16-48-51(45)57-52(46-14-11-12-17-50(46)59)58(48)49-34-42(54(5,6)7)26-27-44(49)37-22-24-41(25-23-37)53(2,3)4/h11-34,59H,1-10H3/i1D3
• InChIKey: USDIQLFQVQIADO-FIBGUPNXSA-N
• XLogP: 14.66
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	777.08
LogP ≤ 5	14.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (CID 153476872) is 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

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

The canonical SMILES for 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc4)cc(C(C)(C)C)c3)c2)cc1.

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

The InChIKey is USDIQLFQVQIADO-FIBGUPNXSA-N. The full InChI is InChI=1S/C55H55N3O/c1-35-18-20-36(21-19-35)38-28-29-56-47(33-38)40-30-39(31-43(32-40)55(8,9)10)45-15-13-16-48-51(45)57-52(46-14-11-12-17-50(46)59)58(48)49-34-42(54(5,6)7)26-27-44(49)37-22-24-41(25-23-37)53(2,3)4/h11-34,59H,1-10H3/i1D3.

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

2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 777.08 g/mol, XLogP of 14.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-tert-butyl-5-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 153476872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).