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

C69H67N3O — CID 164713226

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

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol (PubChem CID 164713226) has the molecular formula C69H67N3O and a molecular weight of 954.32 g/mol. Its IUPAC name is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
• PubChem CID: 164713226
• Molecular Formula: C69H67N3O
• Molecular Weight: 954.32 g/mol
• Exact Mass: 953.53
• IUPAC Name: 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol
• SMILES: CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1
• InChI: InChI=1S/C69H67N3O/c1-66(2,3)53-34-35-61(57(42-53)46-22-15-12-16-23-46)72-62-29-21-28-56(63(62)71-65(72)59-44-55(68(7,8)9)43-58(64(59)73)47-24-17-13-18-25-47)49-38-50(40-54(39-49)67(4,5)6)60-41-48(36-37-70-60)45-30-32-52(33-31-45)69(10,11)51-26-19-14-20-27-51/h12-44,73H,1-11H3
• InChIKey: SJKJHUPNEPJBPP-UHFFFAOYSA-N
• XLogP: 18.35
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.32
LogP ≤ 5	18.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol (CID 164713226) is 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol.

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

The canonical SMILES for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol is CC(C)(C)c1cc(-c2cc(-c3ccc(C(C)(C)c4ccccc4)cc3)ccn2)cc(-c2cccc3c2nc(-c2cc(C(C)(C)C)cc(-c4ccccc4)c2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.

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

The InChIKey is SJKJHUPNEPJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H67N3O/c1-66(2,3)53-34-35-61(57(42-53)46-22-15-12-16-23-46)72-62-29-21-28-56(63(62)71-65(72)59-44-55(68(7,8)9)43-58(64(59)73)47-24-17-13-18-25-47)49-38-50(40-54(39-49)67(4,5)6)60-41-48(36-37-70-60)45-30-32-52(33-31-45)69(10,11)51-26-19-14-20-27-51/h12-44,73H,1-11H3.

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

4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol has a molecular weight of 954.32 g/mol, XLogP of 18.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-[4-[4-(2-phenylpropan-2-yl)phenyl]-2-pyridinyl]phenyl]benzimidazol-2-yl]-6-phenylphenol is sourced from PubChem (CID 164713226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).