4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine

C50H33N3 — CID 139498588

About 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine

4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine (PubChem CID 139498588) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine.

Molecular Properties

• Compound Name: 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
• PubChem CID: 139498588
• Molecular Formula: C50H33N3
• Molecular Weight: 675.84 g/mol
• Exact Mass: 675.27
• IUPAC Name: 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc5ccccc5c5ccc6c(nc(-c7ccccc7)n6-c6ccccc6)c45)cc3)c2)cc1
• InChI: InChI=1S/C50H33N3/c1-5-15-34(16-6-1)39-31-40(35-17-7-2-8-18-35)33-41(32-39)36-25-27-37(28-26-36)48-47-44(43-23-13-14-24-45(43)51-48)29-30-46-49(47)52-50(38-19-9-3-10-20-38)53(46)42-21-11-4-12-22-42/h1-33H
• InChIKey: ACFDIVTWGFMQHP-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	675.84
LogP ≤ 5	13.06
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 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The IUPAC name of 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine (CID 139498588) is 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine.

What is the SMILES notation for 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The canonical SMILES for 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4nc5ccccc5c5ccc6c(nc(-c7ccccc7)n6-c6ccccc6)c45)cc3)c2)cc1.

What is the InChIKey of 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

The InChIKey is ACFDIVTWGFMQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3/c1-5-15-34(16-6-1)39-31-40(35-17-7-2-8-18-35)33-41(32-39)36-25-27-37(28-26-36)48-47-44(43-23-13-14-24-45(43)51-48)29-30-46-49(47)52-50(38-19-9-3-10-20-38)53(46)42-21-11-4-12-22-42/h1-33H.

What are the key properties of 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine?

4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine has a molecular weight of 675.84 g/mol, XLogP of 13.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3,5-diphenylphenyl)phenyl]-1,2-diphenylimidazo[4,5-i]phenanthridine is sourced from PubChem (CID 139498588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).