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

C68H65N3O — CID 164713152

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

2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol (PubChem CID 164713152) has the molecular formula C68H65N3O and a molecular weight of 940.29 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol.

Molecular Properties

• Compound Name: 2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
• PubChem CID: 164713152
• Molecular Formula: C68H65N3O
• Molecular Weight: 940.29 g/mol
• Exact Mass: 939.51
• IUPAC Name: 2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol
• SMILES: CCC(C)(CC)c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4cccc(-c6ccccc6-c6ccccc6)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1
• InChI: InChI=1S/C68H65N3O/c1-10-68(9,11-2)51-34-32-45(33-35-51)48-38-39-69-60(43-48)50-40-49(41-53(42-50)67(6,7)8)55-28-21-31-62-63(55)70-65(71(62)61-37-36-52(66(3,4)5)44-59(61)47-24-16-13-17-25-47)58-30-20-29-57(64(58)72)56-27-19-18-26-54(56)46-22-14-12-15-23-46/h12-44,72H,10-11H2,1-9H3
• InChIKey: WNGVEXFQBLNIMF-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.29
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol (CID 164713152) is 2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol.

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

The canonical SMILES for 2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol is CCC(C)(CC)c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4cccc(-c6ccccc6-c6ccccc6)c4O)n5-c4ccc(C(C)(C)C)cc4-c4ccccc4)cc(C(C)(C)C)c3)c2)cc1.

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

The InChIKey is WNGVEXFQBLNIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H65N3O/c1-10-68(9,11-2)51-34-32-45(33-35-51)48-38-39-69-60(43-48)50-40-49(41-53(42-50)67(6,7)8)55-28-21-31-62-63(55)70-65(71(62)61-37-36-52(66(3,4)5)44-59(61)47-24-16-13-17-25-47)58-30-20-29-57(64(58)72)56-27-19-18-26-54(56)46-22-14-12-15-23-46/h12-44,72H,10-11H2,1-9H3.

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

2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol has a molecular weight of 940.29 g/mol, XLogP of 18.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-[4-[4-(3-methylpentan-3-yl)phenyl]-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]-6-(2-phenylphenyl)phenol is sourced from PubChem (CID 164713152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).