1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine

C52H33N5 — CID 139498645

About 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine

1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine (PubChem CID 139498645) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
• PubChem CID: 139498645
• Molecular Formula: C52H33N5
• Molecular Weight: 727.87 g/mol
• Exact Mass: 727.27
• IUPAC Name: 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine
• SMILES: c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)c3)nc3ccccc23)cc1
• InChI: InChI=1S/C52H33N5/c1-4-15-35(16-5-1)48-43-24-11-13-26-45(43)54-51(55-48)39-20-14-19-38(33-39)34-27-29-36(30-28-34)49-47-42(41-23-10-12-25-44(41)53-49)31-32-46-50(47)56-52(37-17-6-2-7-18-37)57(46)40-21-8-3-9-22-40/h1-33H
• InChIKey: XRVXWVWZQHYSQI-UHFFFAOYSA-N
• XLogP: 13.01
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	727.87
LogP ≤ 5	13.01
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 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine?

The IUPAC name of 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine (CID 139498645) is 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine.

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

The canonical SMILES for 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine is c1ccc(-c2nc(-c3cccc(-c4ccc(-c5nc6ccccc6c6ccc7c(nc(-c8ccccc8)n7-c7ccccc7)c56)cc4)c3)nc3ccccc23)cc1.

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

The InChIKey is XRVXWVWZQHYSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-4-15-35(16-5-1)48-43-24-11-13-26-45(43)54-51(55-48)39-20-14-19-38(33-39)34-27-29-36(30-28-34)49-47-42(41-23-10-12-25-44(41)53-49)31-32-46-50(47)56-52(37-17-6-2-7-18-37)57(46)40-21-8-3-9-22-40/h1-33H.

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

1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine has a molecular weight of 727.87 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-diphenyl-4-[4-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 139498645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).