11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine

C38H26N4 — CID 23527845

About 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine

11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine (PubChem CID 23527845) has the molecular formula C38H26N4 and a molecular weight of 538.65 g/mol. Its IUPAC name is 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine.

Molecular Properties

• Compound Name: 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine
• PubChem CID: 23527845
• Molecular Formula: C38H26N4
• Molecular Weight: 538.65 g/mol
• Exact Mass: 538.22
• IUPAC Name: 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine
• SMILES: C1=Cc2ccccc2N(c2ccc(-c3nc4cccnc4n3-c3ccccc3-c3ccccc3)cc2)c2ccccc21
• InChI: InChI=1S/C38H26N4/c1-2-11-27(12-3-1)32-15-6-9-19-36(32)42-37(40-33-16-10-26-39-38(33)42)30-22-24-31(25-23-30)41-34-17-7-4-13-28(34)20-21-29-14-5-8-18-35(29)41/h1-26H
• InChIKey: PCFDWLSCGAJTAJ-UHFFFAOYSA-N
• XLogP: 9.71
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	538.65
LogP ≤ 5	9.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine?

The IUPAC name of 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine (CID 23527845) is 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine.

What is the SMILES notation for 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine?

The canonical SMILES for 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine is C1=Cc2ccccc2N(c2ccc(-c3nc4cccnc4n3-c3ccccc3-c3ccccc3)cc2)c2ccccc21.

What is the InChIKey of 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine?

The InChIKey is PCFDWLSCGAJTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N4/c1-2-11-27(12-3-1)32-15-6-9-19-36(32)42-37(40-33-16-10-26-39-38(33)42)30-22-24-31(25-23-30)41-34-17-7-4-13-28(34)20-21-29-14-5-8-18-35(29)41/h1-26H.

What are the key properties of 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine?

11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine has a molecular weight of 538.65 g/mol, XLogP of 9.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[4-[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]benzo[b][1]benzazepine is sourced from PubChem (CID 23527845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).