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

C65H75N3O — CID 153482741

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol (PubChem CID 153482741) has the molecular formula C65H75N3O and a molecular weight of 924.40 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 153482741
• Molecular Formula: C65H75N3O
• Molecular Weight: 924.40 g/mol
• Exact Mass: 923.65
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol
• SMILES: [2H]C(C)(C)c1cc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(C(C)(C)C)c4)cccc32)ccc1-c1ccccc1C(C)(C)C
• InChI: InChI=1S/C65H75N3O/c1-40(2)52-39-48(29-30-50(52)51-21-18-19-23-54(51)64(12,13)14)68-57-24-20-22-49(58(57)67-60(68)53-37-47(63(9,10)11)38-55(59(53)69)65(15,16)17)43-33-44(35-46(34-43)62(6,7)8)56-36-42(31-32-66-56)41-25-27-45(28-26-41)61(3,4)5/h18-40,69H,1-17H3/i3D3,4D3,5D3,40D
• InChIKey: UIVHRDSZINZFAC-NIQWEZOXSA-N
• XLogP: 18.07
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.40
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol (CID 153482741) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol is [2H]C(C)(C)c1cc(-n2c(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)nc3c(-c4cc(-c5cc(-c6ccc(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])cc6)ccn5)cc(C(C)(C)C)c4)cccc32)ccc1-c1ccccc1C(C)(C)C.

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

The InChIKey is UIVHRDSZINZFAC-NIQWEZOXSA-N. The full InChI is InChI=1S/C65H75N3O/c1-40(2)52-39-48(29-30-50(52)51-21-18-19-23-54(51)64(12,13)14)68-57-24-20-22-49(58(57)67-60(68)53-37-47(63(9,10)11)38-55(59(53)69)65(15,16)17)43-33-44(35-46(34-43)62(6,7)8)56-36-42(31-32-66-56)41-25-27-45(28-26-41)61(3,4)5/h18-40,69H,1-17H3/i3D3,4D3,5D3,40D.

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

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol has a molecular weight of 924.40 g/mol, XLogP of 18.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-[4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-2-pyridinyl]phenyl]-1-[4-(2-tert-butylphenyl)-3-(2-deuteriopropan-2-yl)phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 153482741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).