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

C55H48N4O — CID 140865223

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

2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140865223) has the molecular formula C55H48N4O and a molecular weight of 781.02 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140865223
• Molecular Formula: C55H48N4O
• Molecular Weight: 781.02 g/mol
• Exact Mass: 780.38
• IUPAC Name: 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5ccccn5)c4)ccnc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1
• InChI: InChI=1S/C55H48N4O/c1-54(2,3)42-34-46(51(60)47(35-42)55(4,5)6)52-58-49-43(40-31-39(36-19-10-7-11-20-36)32-41(33-40)48-27-16-17-29-56-48)28-30-57-53(49)59(52)50-44(37-21-12-8-13-22-37)25-18-26-45(50)38-23-14-9-15-24-38/h7-35,60H,1-6H3
• InChIKey: XAUPCQJFGYADPA-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	781.02
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (CID 140865223) is 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is CC(C)(C)c1cc(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5ccccn5)c4)ccnc3n2-c2c(-c3ccccc3)cccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.

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

The InChIKey is XAUPCQJFGYADPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H48N4O/c1-54(2,3)42-34-46(51(60)47(35-42)55(4,5)6)52-58-49-43(40-31-39(36-19-10-7-11-20-36)32-41(33-40)48-27-16-17-29-56-48)28-30-57-53(49)59(52)50-44(37-21-12-8-13-22-37)25-18-26-45(50)38-23-14-9-15-24-38/h7-35,60H,1-6H3.

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

2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 781.02 g/mol, XLogP of 14.12, 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-[3-(2,6-diphenylphenyl)-7-(3-phenyl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140865223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).