2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol

C56H50N4O — CID 140864711

About 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol

2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864711) has the molecular formula C56H50N4O and a molecular weight of 795.04 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864711
• Molecular Formula: C56H50N4O
• Molecular Weight: 795.04 g/mol
• Exact Mass: 794.40
• IUPAC Name: 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: Cc1cnc(-c2cccc(-c3ccnc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C56H50N4O/c1-36-35-58-49(34-46(36)40-27-25-38(26-28-40)37-17-10-8-11-18-37)42-22-16-21-41(31-42)45-29-30-57-54-51(45)59-53(47-32-43(55(2,3)4)33-48(52(47)61)56(5,6)7)60(54)50-24-15-14-23-44(50)39-19-12-9-13-20-39/h8-35,61H,1-7H3
• InChIKey: OQRKWKHZBDTJBP-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.04
LogP ≤ 5	14.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (CID 140864711) is 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is Cc1cnc(-c2cccc(-c3ccnc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is OQRKWKHZBDTJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H50N4O/c1-36-35-58-49(34-46(36)40-27-25-38(26-28-40)37-17-10-8-11-18-37)42-22-16-21-41(31-42)45-29-30-57-54-51(45)59-53(47-32-43(55(2,3)4)33-48(52(47)61)56(5,6)7)60(54)50-24-15-14-23-44(50)39-19-12-9-13-20-39/h8-35,61H,1-7H3.

What are the key properties of 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 795.04 g/mol, XLogP of 14.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).