4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol

C51H40N4O — CID 140864541

About 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol

4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (PubChem CID 140864541) has the molecular formula C51H40N4O and a molecular weight of 724.91 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol.

Molecular Properties

• Compound Name: 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
• PubChem CID: 140864541
• Molecular Formula: C51H40N4O
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.32
• IUPAC Name: 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol
• SMILES: CC(C)(C)c1ccc(O)c(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)ccnc3n2-c2ccccc2)c1
• InChI: InChI=1S/C51H40N4O/c1-51(2,3)42-23-24-47(56)45(33-42)49-54-48-44(26-28-53-50(48)55(49)43-17-11-6-12-18-43)40-29-39(35-15-9-5-10-16-35)30-41(31-40)46-32-38(25-27-52-46)37-21-19-36(20-22-37)34-13-7-4-8-14-34/h4-33,56H,1-3H3
• InChIKey: BFPJRDXMCKTPGO-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 63.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.91
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The IUPAC name of 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol (CID 140864541) is 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol.

What is the SMILES notation for 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The canonical SMILES for 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol is CC(C)(C)c1ccc(O)c(-c2nc3c(-c4cc(-c5ccccc5)cc(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)c4)ccnc3n2-c2ccccc2)c1.

What is the InChIKey of 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol?

The InChIKey is BFPJRDXMCKTPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H40N4O/c1-51(2,3)42-23-24-47(56)45(33-42)49-54-48-44(26-28-53-50(48)55(49)43-17-11-6-12-18-43)40-29-39(35-15-9-5-10-16-35)30-41(31-40)46-32-38(25-27-52-46)37-21-19-36(20-22-37)34-13-7-4-8-14-34/h4-33,56H,1-3H3.

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

4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol has a molecular weight of 724.91 g/mol, XLogP of 12.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-[3-phenyl-7-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]imidazo[4,5-b]pyridin-2-yl]phenol is sourced from PubChem (CID 140864541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).