2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol

C65H51N3O — CID 153478872

About 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol

2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol (PubChem CID 153478872) has the molecular formula C65H51N3O and a molecular weight of 891.15 g/mol. Its IUPAC name is 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol.

Molecular Properties

• Compound Name: 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
• PubChem CID: 153478872
• Molecular Formula: C65H51N3O
• Molecular Weight: 891.15 g/mol
• Exact Mass: 890.41
• IUPAC Name: 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol
• SMILES: [2H]C(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cccc32)cc1-c1ccccc1
• InChI: InChI=1S/C65H51N3O/c1-42(2)56-40-58(50-24-15-8-16-25-50)62(41-57(56)49-22-13-7-14-23-49)68-61-27-17-26-55(63(61)67-65(68)59-35-43(3)34-44(4)64(59)69)53-36-52(46-20-11-6-12-21-46)37-54(38-53)60-39-51(32-33-66-60)48-30-28-47(29-31-48)45-18-9-5-10-19-45/h5-42,69H,1-4H3/i42D
• InChIKey: XNYGIORBJHYNPJ-HTKJXWLBSA-N
• XLogP: 17.20
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.15
LogP ≤ 5	17.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol?

The IUPAC name of 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol (CID 153478872) is 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol.

What is the SMILES notation for 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol?

The canonical SMILES for 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol is [2H]C(C)(C)c1cc(-c2ccccc2)c(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cccc32)cc1-c1ccccc1.

What is the InChIKey of 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol?

The InChIKey is XNYGIORBJHYNPJ-HTKJXWLBSA-N. The full InChI is InChI=1S/C65H51N3O/c1-42(2)56-40-58(50-24-15-8-16-25-50)62(41-57(56)49-22-13-7-14-23-49)68-61-27-17-26-55(63(61)67-65(68)59-35-43(3)34-44(4)64(59)69)53-36-52(46-20-11-6-12-21-46)37-54(38-53)60-39-51(32-33-66-60)48-30-28-47(29-31-48)45-18-9-5-10-19-45/h5-42,69H,1-4H3/i42D.

What are the key properties of 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol?

2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol has a molecular weight of 891.15 g/mol, XLogP of 17.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[4-(2-deuteriopropan-2-yl)-2,5-diphenylphenyl]-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-4,6-dimethylphenol is sourced from PubChem (CID 153478872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).