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

C57H68N4O — CID 140864503

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

2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864503) has the molecular formula C57H68N4O and a molecular weight of 825.20 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864503
• Molecular Formula: C57H68N4O
• Molecular Weight: 825.20 g/mol
• Exact Mass: 824.54
• IUPAC Name: 2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(C)c1cccc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccn4)c3)ccnc21
• InChI: InChI=1S/C57H68N4O/c1-34(2)43-20-19-21-44(35(3)4)50(43)61-52(46-32-42(56(11,12)13)33-47(51(46)62)57(14,15)16)60-49-45(23-25-59-53(49)61)38-26-36(27-39(28-38)48-22-17-18-24-58-48)37-29-40(54(5,6)7)31-41(30-37)55(8,9)10/h17-35,62H,1-16H3
• InChIKey: CNMSQZYRUGQIBR-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.20
LogP ≤ 5	15.63
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-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (CID 140864503) is 2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol.

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

The canonical SMILES for 2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol is CC(C)c1cccc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc(-c4ccccn4)c3)ccnc21.

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

The InChIKey is CNMSQZYRUGQIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H68N4O/c1-34(2)43-20-19-21-44(35(3)4)50(43)61-52(46-32-42(56(11,12)13)33-47(51(46)62)57(14,15)16)60-49-45(23-25-59-53(49)61)38-26-36(27-39(28-38)48-22-17-18-24-58-48)37-29-40(54(5,6)7)31-41(30-37)55(8,9)10/h17-35,62H,1-16H3.

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

2,4-ditert-butyl-6-[7-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 825.20 g/mol, XLogP of 15.63, 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-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).