2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine

C36H23N3 — CID 58038096

About 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine

2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine (PubChem CID 58038096) has the molecular formula C36H23N3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine
• PubChem CID: 58038096
• Molecular Formula: C36H23N3
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.19
• IUPAC Name: 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine
• SMILES: c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc6ccccc6n5)ccc4n3c2-c2ccccc2)cc1
• InChI: InChI=1S/C36H23N3/c1-3-12-25(13-4-1)34-35(26-14-5-2-6-15-26)39-33-22-20-27(32-21-19-24-11-7-10-18-31(24)37-32)23-30(33)28-16-8-9-17-29(28)36(39)38-34/h1-23H
• InChIKey: XLOMXNJFJPLBGZ-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine?

The IUPAC name of 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine (CID 58038096) is 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine is c1ccc(-c2nc3c4ccccc4c4cc(-c5ccc6ccccc6n5)ccc4n3c2-c2ccccc2)cc1.

What is the InChIKey of 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine?

The InChIKey is XLOMXNJFJPLBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N3/c1-3-12-25(13-4-1)34-35(26-14-5-2-6-15-26)39-33-22-20-27(32-21-19-24-11-7-10-18-31(24)37-32)23-30(33)28-16-8-9-17-29(28)36(39)38-34/h1-23H.

What are the key properties of 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine?

2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine has a molecular weight of 497.60 g/mol, XLogP of 9.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-diphenyl-7-quinolin-2-ylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 58038096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).