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

C37H26N4 — CID 154611835

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

2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine (PubChem CID 154611835) has the molecular formula C37H26N4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine
• PubChem CID: 154611835
• Molecular Formula: C37H26N4
• Molecular Weight: 526.64 g/mol
• Exact Mass: 526.22
• IUPAC Name: 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine
• SMILES: CCc1nc2c3c(-c4ccc(-c5cnc6ccccc6c5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1
• InChI: InChI=1S/C37H26N4/c1-2-34-40-37-33(41(34)28-11-4-3-5-12-28)21-20-30-29-13-7-9-15-32(29)39-36(35(30)37)25-18-16-24(17-19-25)27-22-26-10-6-8-14-31(26)38-23-27/h3-23H,2H2,1H3
• InChIKey: XBUUGIHBIUKYMN-UHFFFAOYSA-N
• XLogP: 9.17
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	526.64
LogP ≤ 5	9.17
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 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine?

The IUPAC name of 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine (CID 154611835) is 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine.

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

The canonical SMILES for 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine is CCc1nc2c3c(-c4ccc(-c5cnc6ccccc6c5)cc4)nc4ccccc4c3ccc2n1-c1ccccc1.

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

The InChIKey is XBUUGIHBIUKYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N4/c1-2-34-40-37-33(41(34)28-11-4-3-5-12-28)21-20-30-29-13-7-9-15-32(29)39-36(35(30)37)25-18-16-24(17-19-25)27-22-26-10-6-8-14-31(26)38-23-27/h3-23H,2H2,1H3.

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

2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine has a molecular weight of 526.64 g/mol, XLogP of 9.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-1-phenyl-4-(4-quinolin-3-ylphenyl)imidazo[4,5-i]phenanthridine is sourced from PubChem (CID 154611835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).