1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole

C50H34N4 — CID 155307576

About 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole

1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole (PubChem CID 155307576) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole.

Molecular Properties

• Compound Name: 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole
• PubChem CID: 155307576
• Molecular Formula: C50H34N4
• Molecular Weight: 690.85 g/mol
• Exact Mass: 690.28
• IUPAC Name: 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole
• SMILES: c1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3ccc4nc(-c5ccccc5)n(-c5ccccc5)c4c3)c2)cc1
• InChI: InChI=1S/C50H34N4/c1-5-16-35(17-6-1)41-31-42(38-22-15-23-40(30-38)49-48(36-18-7-2-8-19-36)52-47-26-13-14-29-53(47)49)33-43(32-41)39-27-28-45-46(34-39)54(44-24-11-4-12-25-44)50(51-45)37-20-9-3-10-21-37/h1-34H
• InChIKey: ZUUXCKHIQXNJLY-UHFFFAOYSA-N
• XLogP: 12.68
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.85
LogP ≤ 5	12.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole?

The IUPAC name of 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole (CID 155307576) is 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole.

What is the SMILES notation for 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole?

The canonical SMILES for 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole is c1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3ccc4nc(-c5ccccc5)n(-c5ccccc5)c4c3)c2)cc1.

What is the InChIKey of 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole?

The InChIKey is ZUUXCKHIQXNJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-5-16-35(17-6-1)41-31-42(38-22-15-23-40(30-38)49-48(36-18-7-2-8-19-36)52-47-26-13-14-29-53(47)49)33-43(32-41)39-27-28-45-46(34-39)54(44-24-11-4-12-25-44)50(51-45)37-20-9-3-10-21-37/h1-34H.

What are the key properties of 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole?

1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole has a molecular weight of 690.85 g/mol, XLogP of 12.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-diphenyl-6-[3-phenyl-5-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole is sourced from PubChem (CID 155307576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).