2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol

C69H75N3O — CID 164701692

About 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol (PubChem CID 164701692) has the molecular formula C69H75N3O and a molecular weight of 969.42 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol
• PubChem CID: 164701692
• Molecular Formula: C69H75N3O
• Molecular Weight: 969.42 g/mol
• Exact Mass: 968.63
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol
• SMILES: [2H]c1nc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(-c4c(-c5ccccc5)cccc4C(C)(C)C)cc3C)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2[2H])c1[2H]
• InChI: InChI=1S/C69H75N3O/c1-43-36-47(61-53(45-22-18-17-19-23-45)24-20-26-56(61)68(11,12)13)30-33-59(43)72-60-27-21-25-54(62(60)71-64(72)55-41-52(67(8,9)10)42-57(63(55)73)69(14,15)16)48-37-49(39-51(38-48)66(5,6)7)58-40-46(34-35-70-58)44-28-31-50(32-29-44)65(2,3)4/h17-42,73H,1-16H3/i28D,29D,31D,32D,34D,35D,40D
• InChIKey: RDEOLLAYPBIEGC-BFMXGIPVSA-N
• XLogP: 18.92
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.42
LogP ≤ 5	18.92
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-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol (CID 164701692) is 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol is [2H]c1nc(-c2cc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccc(-c4c(-c5ccccc5)cccc4C(C)(C)C)cc3C)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2[2H])c1[2H].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol?

The InChIKey is RDEOLLAYPBIEGC-BFMXGIPVSA-N. The full InChI is InChI=1S/C69H75N3O/c1-43-36-47(61-53(45-22-18-17-19-23-45)24-20-26-56(61)68(11,12)13)30-33-59(43)72-60-27-21-25-54(62(60)71-64(72)55-41-52(67(8,9)10)42-57(63(55)73)69(14,15)16)48-37-49(39-51(38-48)66(5,6)7)58-40-46(34-35-70-58)44-28-31-50(32-29-44)65(2,3)4/h17-42,73H,1-16H3/i28D,29D,31D,32D,34D,35D,40D.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol?

2,4-ditert-butyl-6-[4-[3-tert-butyl-5-[4-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol has a molecular weight of 969.42 g/mol, XLogP of 18.92, 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-tert-butyl-2,3,5,6-tetradeuteriophenyl)-3,5,6-trideuterio-2-pyridinyl]phenyl]-1-[4-(2-tert-butyl-6-phenylphenyl)-2-methylphenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 164701692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).