4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine

C45H29N5 — CID 139498900

About 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine

4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine (PubChem CID 139498900) has the molecular formula C45H29N5 and a molecular weight of 639.76 g/mol. Its IUPAC name is 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
• PubChem CID: 139498900
• Molecular Formula: C45H29N5
• Molecular Weight: 639.76 g/mol
• Exact Mass: 639.24
• IUPAC Name: 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
• SMILES: c1ccc(-c2nc3c4c(-c5ccc(-c6ccc(-c7cn8ccccc8n7)cc6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1
• InChI: InChI=1S/C45H29N5/c1-3-11-34(12-4-1)45-48-44-40(50(45)35-13-5-2-6-14-35)27-26-37-36-15-7-8-16-38(36)47-43(42(37)44)33-24-20-31(21-25-33)30-18-22-32(23-19-30)39-29-49-28-10-9-17-41(49)46-39/h1-29H
• InChIKey: GDSHIZGXMACSSW-UHFFFAOYSA-N
• XLogP: 11.04
• TPSA: 48.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	639.76
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The IUPAC name of 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine (CID 139498900) is 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine.

What is the SMILES notation for 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The canonical SMILES for 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine is c1ccc(-c2nc3c4c(-c5ccc(-c6ccc(-c7cn8ccccc8n7)cc6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.

What is the InChIKey of 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The InChIKey is GDSHIZGXMACSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N5/c1-3-11-34(12-4-1)45-48-44-40(50(45)35-13-5-2-6-14-35)27-26-37-36-15-7-8-16-38(36)47-43(42(37)44)33-24-20-31(21-25-33)30-18-22-32(23-19-30)39-29-49-28-10-9-17-41(49)46-39/h1-29H.

What are the key properties of 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine has a molecular weight of 639.76 g/mol, XLogP of 11.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine is sourced from PubChem (CID 139498900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).