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

C58H53N3O — CID 164742286

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

2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol (PubChem CID 164742286) has the molecular formula C58H53N3O and a molecular weight of 808.08 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 164742286
• Molecular Formula: C58H53N3O
• Molecular Weight: 808.08 g/mol
• Exact Mass: 807.42
• IUPAC Name: 2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
• SMILES: CC(c1ccccc1)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cccc3c2nc(-c2cccc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)cc2C(C)(C)C)c1
• InChI: InChI=1S/C58H53N3O/c1-38(39-19-11-8-12-20-39)44-33-45(35-46(34-44)51-37-43(31-32-59-51)41-23-15-10-16-24-41)47-25-18-28-53-54(47)60-56(48-26-17-27-49(55(48)62)57(2,3)4)61(53)52-30-29-42(36-50(52)58(5,6)7)40-21-13-9-14-22-40/h8-38,62H,1-7H3
• InChIKey: DVLHLPMEUOVAJC-UHFFFAOYSA-N
• XLogP: 15.21
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.08
LogP ≤ 5	15.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol (CID 164742286) is 2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol.

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

The canonical SMILES for 2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol is CC(c1ccccc1)c1cc(-c2cc(-c3ccccc3)ccn2)cc(-c2cccc3c2nc(-c2cccc(C(C)(C)C)c2O)n3-c2ccc(-c3ccccc3)cc2C(C)(C)C)c1.

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

The InChIKey is DVLHLPMEUOVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H53N3O/c1-38(39-19-11-8-12-20-39)44-33-45(35-46(34-44)51-37-43(31-32-59-51)41-23-15-10-16-24-41)47-25-18-28-53-54(47)60-56(48-26-17-27-49(55(48)62)57(2,3)4)61(53)52-30-29-42(36-50(52)58(5,6)7)40-21-13-9-14-22-40/h8-38,62H,1-7H3.

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

2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol has a molecular weight of 808.08 g/mol, XLogP of 15.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-(1-phenylethyl)-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 164742286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).