1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine

C41H26N4 — CID 139498552

About 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine

1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine (PubChem CID 139498552) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine
• PubChem CID: 139498552
• Molecular Formula: C41H26N4
• Molecular Weight: 574.69 g/mol
• Exact Mass: 574.22
• IUPAC Name: 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine
• SMILES: c1ccc(-c2nc3c4c(-c5ccc(-c6cnc7ccccc7c6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1
• InChI: InChI=1S/C41H26N4/c1-3-11-29(12-4-1)41-44-40-37(45(41)32-14-5-2-6-15-32)24-23-34-33-16-8-10-18-36(33)43-39(38(34)40)28-21-19-27(20-22-28)31-25-30-13-7-9-17-35(30)42-26-31/h1-26H
• InChIKey: JFVGTQCKOBFRKG-UHFFFAOYSA-N
• XLogP: 10.28
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.69
LogP ≤ 5	10.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine?

The IUPAC name of 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine (CID 139498552) is 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine.

What is the SMILES notation for 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine?

The canonical SMILES for 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine is c1ccc(-c2nc3c4c(-c5ccc(-c6cnc7ccccc7c6)cc5)nc5ccccc5c4ccc3n2-c2ccccc2)cc1.

What is the InChIKey of 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine?

The InChIKey is JFVGTQCKOBFRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-3-11-29(12-4-1)41-44-40-37(45(41)32-14-5-2-6-15-32)24-23-34-33-16-8-10-18-36(33)43-39(38(34)40)28-21-19-27(20-22-28)31-25-30-13-7-9-17-35(30)42-26-31/h1-26H.

What are the key properties of 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine?

1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine has a molecular weight of 574.69 g/mol, XLogP of 10.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-diphenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 139498552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).