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

C67H55N3O — CID 164713116

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

4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (PubChem CID 164713116) has the molecular formula C67H55N3O and a molecular weight of 918.20 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• PubChem CID: 164713116
• Molecular Formula: C67H55N3O
• Molecular Weight: 918.20 g/mol
• Exact Mass: 917.43
• IUPAC Name: 4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2ccccc2)c(O)c(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)c4)cccc3n2-c2ccccc2-c2ccccc2)c1
• InChI: InChI=1S/C67H55N3O/c1-66(2,3)55-43-58(48-25-14-8-15-26-48)64(71)59(44-55)65-69-63-57(30-20-32-62(63)70(65)61-31-19-18-29-56(61)47-23-12-7-13-24-47)51-39-50(45-21-10-6-11-22-45)40-52(41-51)60-42-49(37-38-68-60)46-33-35-54(36-34-46)67(4,5)53-27-16-9-17-28-53/h6-44,71H,1-5H3
• InChIKey: PBERJKQHQPCEQL-UHFFFAOYSA-N
• XLogP: 17.42
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.20
LogP ≤ 5	17.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol (CID 164713116) is 4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol.

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

The canonical SMILES for 4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is CC(C)(C)c1cc(-c2ccccc2)c(O)c(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C(C)(C)c7ccccc7)cc6)ccn5)c4)cccc3n2-c2ccccc2-c2ccccc2)c1.

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

The InChIKey is PBERJKQHQPCEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H55N3O/c1-66(2,3)55-43-58(48-25-14-8-15-26-48)64(71)59(44-55)65-69-63-57(30-20-32-62(63)70(65)61-31-19-18-29-56(61)47-23-12-7-13-24-47)51-39-50(45-21-10-6-11-22-45)40-52(41-51)60-42-49(37-38-68-60)46-33-35-54(36-34-46)67(4,5)53-27-16-9-17-28-53/h6-44,71H,1-5H3.

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

4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol has a molecular weight of 918.20 g/mol, XLogP of 17.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-phenyl-6-[1-(2-phenylphenyl)-4-[3-phenyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 164713116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).