3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol

C52H55N3O — CID 162783287

About 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol

3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol (PubChem CID 162783287) has the molecular formula C52H55N3O and a molecular weight of 738.03 g/mol. Its IUPAC name is 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
• PubChem CID: 162783287
• Molecular Formula: C52H55N3O
• Molecular Weight: 738.03 g/mol
• Exact Mass: 737.43
• IUPAC Name: 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
• SMILES: CC(C)(C)c1cc(-c2ccccn2)cc(-c2cccc3c2nc(-c2cc4c(cc2O)C(C)(C)CCC4(C)C)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
• InChI: InChI=1S/C52H55N3O/c1-49(2,3)36-22-23-44(39(30-36)33-17-12-11-13-18-33)55-45-21-16-19-38(34-27-35(43-20-14-15-26-53-43)29-37(28-34)50(4,5)6)47(45)54-48(55)40-31-41-42(32-46(40)56)52(9,10)25-24-51(41,7)8/h11-23,26-32,56H,24-25H2,1-10H3
• InChIKey: ZDBJUDNPPCJQFC-UHFFFAOYSA-N
• XLogP: 13.74
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.03
LogP ≤ 5	13.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?

The IUPAC name of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol (CID 162783287) is 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol.

What is the SMILES notation for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?

The canonical SMILES for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol is CC(C)(C)c1cc(-c2ccccn2)cc(-c2cccc3c2nc(-c2cc4c(cc2O)C(C)(C)CCC4(C)C)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.

What is the InChIKey of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?

The InChIKey is ZDBJUDNPPCJQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H55N3O/c1-49(2,3)36-22-23-44(39(30-36)33-17-12-11-13-18-33)55-45-21-16-19-38(34-27-35(43-20-14-15-26-53-43)29-37(28-34)50(4,5)6)47(45)54-48(55)40-31-41-42(32-46(40)56)52(9,10)25-24-51(41,7)8/h11-23,26-32,56H,24-25H2,1-10H3.

What are the key properties of 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol?

3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol has a molecular weight of 738.03 g/mol, XLogP of 13.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(4-tert-butyl-2-phenylphenyl)-4-(3-tert-butyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol is sourced from PubChem (CID 162783287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).