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

C50H46N4O — CID 140864343

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

2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864343) has the molecular formula C50H46N4O and a molecular weight of 718.95 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[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-phenylimidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864343
• Molecular Formula: C50H46N4O
• Molecular Weight: 718.95 g/mol
• Exact Mass: 718.37
• IUPAC Name: 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: Cc1cnc(-c2cccc(-c3ccnc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-c3ccccc3)c2)cc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C50H46N4O/c1-32-31-52-44(30-41(32)35-23-21-34(22-24-35)33-15-10-8-11-16-33)37-18-14-17-36(27-37)40-25-26-51-48-45(40)53-47(54(48)39-19-12-9-13-20-39)42-28-38(49(2,3)4)29-43(46(42)55)50(5,6)7/h8-31,55H,1-7H3
• InChIKey: NHNOOWKXSVROLB-UHFFFAOYSA-N
• XLogP: 12.76
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.95
LogP ≤ 5	12.76
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-phenylimidazo[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-phenylimidazo[4,5-b]pyridin-2-yl]phenol (CID 140864343) is 2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[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-phenylimidazo[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-phenylimidazo[4,5-b]pyridin-2-yl]phenol is Cc1cnc(-c2cccc(-c3ccnc4c3nc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)n4-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-phenylimidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is NHNOOWKXSVROLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H46N4O/c1-32-31-52-44(30-41(32)35-23-21-34(22-24-35)33-15-10-8-11-16-33)37-18-14-17-36(27-37)40-25-26-51-48-45(40)53-47(54(48)39-19-12-9-13-20-39)42-28-38(49(2,3)4)29-43(46(42)55)50(5,6)7/h8-31,55H,1-7H3.

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

2,4-ditert-butyl-6-[7-[3-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 718.95 g/mol, XLogP of 12.76, 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-[5-methyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]-3-phenylimidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).