2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol

C56H49N3O — CID 153477552

About 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol

2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol (PubChem CID 153477552) has the molecular formula C56H49N3O and a molecular weight of 780.03 g/mol. Its IUPAC name is 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
• PubChem CID: 153477552
• Molecular Formula: C56H49N3O
• Molecular Weight: 780.03 g/mol
• Exact Mass: 779.39
• IUPAC Name: 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
• SMILES: CCC(C)(C)c1ccc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C)cc6)ccn5)c4)cccc32)c(-c2ccccc2)c1
• InChI: InChI=1S/C56H49N3O/c1-7-56(5,6)46-25-26-51(48(35-46)41-17-12-9-13-18-41)59-52-20-14-19-47(53(52)58-55(59)49-30-37(3)29-38(4)54(49)60)44-31-43(39-15-10-8-11-16-39)32-45(33-44)50-34-42(27-28-57-50)40-23-21-36(2)22-24-40/h8-35,60H,7H2,1-6H3
• InChIKey: UGHZXPASYZFFFR-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.03
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?

The IUPAC name of 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol (CID 153477552) is 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol is CCC(C)(C)c1ccc(-n2c(-c3cc(C)cc(C)c3O)nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(C)cc6)ccn5)c4)cccc32)c(-c2ccccc2)c1.

What is the InChIKey of 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?

The InChIKey is UGHZXPASYZFFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H49N3O/c1-7-56(5,6)46-25-26-51(48(35-46)41-17-12-9-13-18-41)59-52-20-14-19-47(53(52)58-55(59)49-30-37(3)29-38(4)54(49)60)44-31-43(39-15-10-8-11-16-39)32-45(33-44)50-34-42(27-28-57-50)40-23-21-36(2)22-24-40/h8-35,60H,7H2,1-6H3.

What are the key properties of 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol?

2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol has a molecular weight of 780.03 g/mol, XLogP of 14.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-6-[1-[4-(2-methylbutan-2-yl)-2-phenylphenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 153477552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).