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

C53H52N4O — CID 140864089

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

2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864089) has the molecular formula C53H52N4O and a molecular weight of 761.03 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864089
• Molecular Formula: C53H52N4O
• Molecular Weight: 761.03 g/mol
• Exact Mass: 760.41
• IUPAC Name: 2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(C)(C)c1cc(-c2ccccn2)cc(-c2ccnc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2c(-c3ccccc3)cccc2-c2ccccc2)c1
• InChI: InChI=1S/C53H52N4O/c1-51(2,3)38-30-36(29-37(31-38)45-25-16-17-27-54-45)40-26-28-55-50-46(40)56-49(43-32-39(52(4,5)6)33-44(48(43)58)53(7,8)9)57(50)47-41(34-19-12-10-13-20-34)23-18-24-42(47)35-21-14-11-15-22-35/h10-33,58H,1-9H3
• InChIKey: ZGZFCPZCCHVUGE-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.03
LogP ≤ 5	13.75
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-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (CID 140864089) is 2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is CC(C)(C)c1cc(-c2ccccn2)cc(-c2ccnc3c2nc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n3-c2c(-c3ccccc3)cccc2-c2ccccc2)c1.

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

The InChIKey is ZGZFCPZCCHVUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H52N4O/c1-51(2,3)38-30-36(29-37(31-38)45-25-16-17-27-54-45)40-26-28-55-50-46(40)56-49(43-32-39(52(4,5)6)33-44(48(43)58)53(7,8)9)57(50)47-41(34-19-12-10-13-20-34)23-18-24-42(47)35-21-14-11-15-22-35/h10-33,58H,1-9H3.

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

2,4-ditert-butyl-6-[7-(3-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 761.03 g/mol, XLogP of 13.75, 6 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-tert-butyl-5-pyridin-2-ylphenyl)-3-(2,6-diphenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).