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

C52H50N4O — CID 140864749

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

2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864749) has the molecular formula C52H50N4O and a molecular weight of 747.00 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-propan-2-yl-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-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864749
• Molecular Formula: C52H50N4O
• Molecular Weight: 747.00 g/mol
• Exact Mass: 746.40
• IUPAC Name: 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(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/C52H50N4O/c1-33(2)36-28-37(30-38(29-36)45-24-15-16-26-53-45)40-25-27-54-50-46(40)55-49(43-31-39(51(3,4)5)32-44(48(43)57)52(6,7)8)56(50)47-41(34-18-11-9-12-19-34)22-17-23-42(47)35-20-13-10-14-21-35/h9-33,57H,1-8H3
• InChIKey: DNRIRLVOTZZQLH-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.00
LogP ≤ 5	13.57
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-propan-2-yl-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-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol (CID 140864749) is 2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is CC(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-[3-(2,6-diphenylphenyl)-7-(3-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is DNRIRLVOTZZQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N4O/c1-33(2)36-28-37(30-38(29-36)45-24-15-16-26-53-45)40-25-27-54-50-46(40)55-49(43-31-39(51(3,4)5)32-44(48(43)57)52(6,7)8)56(50)47-41(34-18-11-9-12-19-34)22-17-23-42(47)35-20-13-10-14-21-35/h9-33,57H,1-8H3.

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

2,4-ditert-butyl-6-[3-(2,6-diphenylphenyl)-7-(3-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 747.00 g/mol, XLogP of 13.57, 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-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).