4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol

C63H55N3O — CID 163783547

About 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol (PubChem CID 163783547) has the molecular formula C63H55N3O and a molecular weight of 870.15 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol
• PubChem CID: 163783547
• Molecular Formula: C63H55N3O
• Molecular Weight: 870.15 g/mol
• Exact Mass: 869.43
• IUPAC Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol
• SMILES: Cc1cc(C(C)(C)C)cc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1O
• InChI: InChI=1S/C63H55N3O/c1-41-34-52(63(5,6)7)40-55(60(41)67)61-65-59-53(24-17-25-58(59)66(61)57-31-30-51(62(2,3)4)39-54(57)46-22-15-10-16-23-46)49-35-48(43-20-13-9-14-21-43)36-50(37-49)56-38-47(32-33-64-56)45-28-26-44(27-29-45)42-18-11-8-12-19-42/h8-40,67H,1-7H3
• InChIKey: RMIIOXTWEZOOBO-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.15
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol?

The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol (CID 163783547) is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol.

What is the SMILES notation for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol?

The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol is Cc1cc(C(C)(C)C)cc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)cccc3n2-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1O.

What is the InChIKey of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol?

The InChIKey is RMIIOXTWEZOOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H55N3O/c1-41-34-52(63(5,6)7)40-55(60(41)67)61-65-59-53(24-17-25-58(59)66(61)57-31-30-51(62(2,3)4)39-54(57)46-22-15-10-16-23-46)49-35-48(43-20-13-9-14-21-43)36-50(37-49)56-38-47(32-33-64-56)45-28-26-44(27-29-45)42-18-11-8-12-19-42/h8-40,67H,1-7H3.

What are the key properties of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol?

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol has a molecular weight of 870.15 g/mol, XLogP of 16.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-methylphenol is sourced from PubChem (CID 163783547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).