2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol

C68H65N3O — CID 167332085

About 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol

2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol (PubChem CID 167332085) has the molecular formula C68H65N3O and a molecular weight of 943.31 g/mol. Its IUPAC name is 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol.

Molecular Properties

• Compound Name: 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
• PubChem CID: 167332085
• Molecular Formula: C68H65N3O
• Molecular Weight: 943.31 g/mol
• Exact Mass: 942.53
• IUPAC Name: 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol
• SMILES: [2H]C([2H])([2H])c1cc(-c2c(C(C)C)cccc2C(C)(C)C)ccc1-n1c(-c2cc(C(C)C)cc(C(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc21
• InChI: InChI=1S/C68H65N3O/c1-42(2)52-39-58(44(5)6)66(72)59(40-52)67-70-65-57(24-18-26-63(65)71(67)62-32-31-51(35-45(62)7)64-56(43(3)4)23-17-25-60(64)68(8,9)10)54-36-53(47-21-15-12-16-22-47)37-55(38-54)61-41-50(33-34-69-61)49-29-27-48(28-30-49)46-19-13-11-14-20-46/h11-44,72H,1-10H3/i7D3
• InChIKey: BBALSJUFBVSLSN-UKDQJQFQSA-N
• XLogP: 18.77
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.31
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol (CID 167332085) is 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol.

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

The canonical SMILES for 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol is [2H]C([2H])([2H])c1cc(-c2c(C(C)C)cccc2C(C)(C)C)ccc1-n1c(-c2cc(C(C)C)cc(C(C)C)c2O)nc2c(-c3cc(-c4ccccc4)cc(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)c3)cccc21.

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

The InChIKey is BBALSJUFBVSLSN-UKDQJQFQSA-N. The full InChI is InChI=1S/C68H65N3O/c1-42(2)52-39-58(44(5)6)66(72)59(40-52)67-70-65-57(24-18-26-63(65)71(67)62-32-31-51(35-45(62)7)64-56(43(3)4)23-17-25-60(64)68(8,9)10)54-36-53(47-21-15-12-16-22-47)37-55(38-54)61-41-50(33-34-69-61)49-29-27-48(28-30-49)46-19-13-11-14-20-46/h11-44,72H,1-10H3/i7D3.

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

2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol has a molecular weight of 943.31 g/mol, XLogP of 18.77, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(2-tert-butyl-6-propan-2-ylphenyl)-2-(trideuteriomethyl)phenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol is sourced from PubChem (CID 167332085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).