2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol

C65H67N3O — CID 171424856

About 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol

2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol (PubChem CID 171424856) has the molecular formula C65H67N3O and a molecular weight of 918.34 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
• PubChem CID: 171424856
• Molecular Formula: C65H67N3O
• Molecular Weight: 918.34 g/mol
• Exact Mass: 917.60
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol
• SMILES: [2H]C([2H])([2H])c1cnc(-c2cc(-c3cccc4c3nc(-c3cccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c3O)n4-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)cc1-c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C65H67N3O/c1-41-40-66-56(39-52(41)44-30-32-47(33-31-44)62(2,3)4)46-34-45(35-48(36-46)63(5,6)7)50-26-21-29-57-58(50)67-61(51-27-20-28-55(60(51)69)65(11,12)13)68(57)59-53(42-22-16-14-17-23-42)37-49(64(8,9)10)38-54(59)43-24-18-15-19-25-43/h14-40,69H,1-13H3/i1D3,11D3,12D3,13D3
• InChIKey: KZFLBKRHJLHOCV-TUQGSJJOSA-N
• XLogP: 17.63
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.34
LogP ≤ 5	17.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol (CID 171424856) is 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol.

What is the SMILES notation for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol is [2H]C([2H])([2H])c1cnc(-c2cc(-c3cccc4c3nc(-c3cccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])c3O)n4-c3c(-c4ccccc4)cc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)cc1-c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

The InChIKey is KZFLBKRHJLHOCV-TUQGSJJOSA-N. The full InChI is InChI=1S/C65H67N3O/c1-41-40-66-56(39-52(41)44-30-32-47(33-31-44)62(2,3)4)46-34-45(35-48(36-46)63(5,6)7)50-26-21-29-57-58(50)67-61(51-27-20-28-55(60(51)69)65(11,12)13)68(57)59-53(42-22-16-14-17-23-42)37-49(64(8,9)10)38-54(59)43-24-18-15-19-25-43/h14-40,69H,1-13H3/i1D3,11D3,12D3,13D3.

What are the key properties of 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol?

2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol has a molecular weight of 918.34 g/mol, XLogP of 17.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-(4-tert-butylphenyl)-5-(trideuteriomethyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2,6-diphenylphenyl)benzimidazol-2-yl]-6-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenol is sourced from PubChem (CID 171424856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).