2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol

C47H40N4O — CID 140865255

About 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol

2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol (PubChem CID 140865255) has the molecular formula C47H40N4O and a molecular weight of 676.86 g/mol. Its IUPAC name is 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
• PubChem CID: 140865255
• Molecular Formula: C47H40N4O
• Molecular Weight: 676.86 g/mol
• Exact Mass: 676.32
• IUPAC Name: 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol
• SMILES: Cc1cnc(-c2cc(-c3ccccc3)cc(-c3nccc4c3nc(-c3cccc(C(C)(C)C)c3O)n4C)c2)cc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C47H40N4O/c1-30-29-49-41(28-39(30)34-21-19-33(20-22-34)31-13-8-6-9-14-31)36-25-35(32-15-10-7-11-16-32)26-37(27-36)43-44-42(23-24-48-43)51(5)46(50-44)38-17-12-18-40(45(38)52)47(2,3)4/h6-29,52H,1-5H3
• InChIKey: GJQAQEMYOQGXAX-UHFFFAOYSA-N
• XLogP: 11.68
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.86
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

The IUPAC name of 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol (CID 140865255) is 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol.

What is the SMILES notation for 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

The canonical SMILES for 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol is Cc1cnc(-c2cc(-c3ccccc3)cc(-c3nccc4c3nc(-c3cccc(C(C)(C)C)c3O)n4C)c2)cc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

The InChIKey is GJQAQEMYOQGXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N4O/c1-30-29-49-41(28-39(30)34-21-19-33(20-22-34)31-13-8-6-9-14-31)36-25-35(32-15-10-7-11-16-32)26-37(27-36)43-44-42(23-24-48-43)51(5)46(50-44)38-17-12-18-40(45(38)52)47(2,3)4/h6-29,52H,1-5H3.

What are the key properties of 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol?

2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol has a molecular weight of 676.86 g/mol, XLogP of 11.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-6-[1-methyl-4-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]-5-phenylphenyl]imidazo[4,5-c]pyridin-2-yl]phenol is sourced from PubChem (CID 140865255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).