2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol

C58H51N3O — CID 162783065

About 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol (PubChem CID 162783065) has the molecular formula C58H51N3O and a molecular weight of 806.07 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 162783065
• Molecular Formula: C58H51N3O
• Molecular Weight: 806.07 g/mol
• Exact Mass: 805.40
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4cc(-c5nccc6c5-c5ccccc5C6(C)C)cc(C(C)(C)c5ccccc5)c4)cccc32)c(-c2ccccc2)c1
• InChI: InChI=1S/C58H51N3O/c1-56(2,3)41-29-30-49(46(36-41)37-19-10-8-11-20-37)61-50-27-18-25-43(54(50)60-55(61)45-24-15-17-28-51(45)62)38-33-39(35-42(34-38)57(4,5)40-21-12-9-13-22-40)53-52-44-23-14-16-26-47(44)58(6,7)48(52)31-32-59-53/h8-36,62H,1-7H3
• InChIKey: CSHXOQHQLYMWDK-UHFFFAOYSA-N
• XLogP: 14.72
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.07
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol (CID 162783065) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4cc(-c5nccc6c5-c5ccccc5C6(C)C)cc(C(C)(C)c5ccccc5)c4)cccc32)c(-c2ccccc2)c1.

What is the InChIKey of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol?

The InChIKey is CSHXOQHQLYMWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51N3O/c1-56(2,3)41-29-30-49(46(36-41)37-19-10-8-11-20-37)61-50-27-18-25-43(54(50)60-55(61)45-24-15-17-28-51(45)62)38-33-39(35-42(34-38)57(4,5)40-21-12-9-13-22-40)53-52-44-23-14-16-26-47(44)58(6,7)48(52)31-32-59-53/h8-36,62H,1-7H3.

What are the key properties of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol?

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol has a molecular weight of 806.07 g/mol, XLogP of 14.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(5,5-dimethylindeno[1,2-c]pyridin-1-yl)-5-(2-phenylpropan-2-yl)phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 162783065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).