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

C63H61N3O — CID 162783768

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

3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol (PubChem CID 162783768) has the molecular formula C63H61N3O and a molecular weight of 876.20 g/mol. Its IUPAC name is 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol.

Molecular Properties

• Compound Name: 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
• PubChem CID: 162783768
• Molecular Formula: C63H61N3O
• Molecular Weight: 876.20 g/mol
• Exact Mass: 875.48
• IUPAC Name: 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc4c(cc2O)C(C)(C)CCC4(C)C)n3-c2ccccc2-c2ccccc2)c1
• InChI: InChI=1S/C63H61N3O/c1-60(2,3)48-36-44(35-45(37-48)54-38-43(31-34-64-54)41-27-29-47(30-28-41)63(8,9)46-21-14-11-15-22-46)50-24-18-26-56-58(50)65-59(66(56)55-25-17-16-23-49(55)42-19-12-10-13-20-42)51-39-52-53(40-57(51)67)62(6,7)33-32-61(52,4)5/h10-31,34-40,67H,32-33H2,1-9H3
• InChIKey: QGYZUVRECVQLAD-UHFFFAOYSA-N
• XLogP: 16.43
• 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	876.20
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol (CID 162783768) is 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol.

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

The canonical SMILES for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol is CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc4c(cc2O)C(C)(C)CCC4(C)C)n3-c2ccccc2-c2ccccc2)c1.

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

The InChIKey is QGYZUVRECVQLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H61N3O/c1-60(2,3)48-36-44(35-45(37-48)54-38-43(31-34-64-54)41-27-29-47(30-28-41)63(8,9)46-21-14-11-15-22-46)50-24-18-26-56-58(50)65-59(66(56)55-25-17-16-23-49(55)42-19-12-10-13-20-42)51-39-52-53(40-57(51)67)62(6,7)33-32-61(52,4)5/h10-31,34-40,67H,32-33H2,1-9H3.

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

3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol has a molecular weight of 876.20 g/mol, XLogP of 16.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]-1-(2-phenylphenyl)benzimidazol-2-yl]-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-ol is sourced from PubChem (CID 162783768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).