11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine

C42H26N4O — CID 154611261

About 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine

11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine (PubChem CID 154611261) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine
• PubChem CID: 154611261
• Molecular Formula: C42H26N4O
• Molecular Weight: 602.70 g/mol
• Exact Mass: 602.21
• IUPAC Name: 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine
• SMILES: c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccc(Oc4ccc5c6ccccc6n6ccnc6c5c4)cc2c2nccn23)cc1
• InChI: InChI=1S/C42H26N4O/c1-3-9-27(10-4-1)29-23-35(28-11-5-2-6-12-28)40-36(24-29)33-18-16-31(26-38(33)42-44-20-22-46(40)42)47-30-15-17-32-34-13-7-8-14-39(34)45-21-19-43-41(45)37(32)25-30/h1-26H
• InChIKey: BYMJSCLILVOQSX-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 43.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.70
LogP ≤ 5	10.72
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 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine?

The IUPAC name of 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine (CID 154611261) is 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine is c1ccc(-c2cc(-c3ccccc3)c3c(c2)c2ccc(Oc4ccc5c6ccccc6n6ccnc6c5c4)cc2c2nccn23)cc1.

What is the InChIKey of 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine?

The InChIKey is BYMJSCLILVOQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O/c1-3-9-27(10-4-1)29-23-35(28-11-5-2-6-12-28)40-36(24-29)33-18-16-31(26-38(33)42-44-20-22-46(40)42)47-30-15-17-32-34-13-7-8-14-39(34)45-21-19-43-41(45)37(32)25-30/h1-26H.

What are the key properties of 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine?

11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine has a molecular weight of 602.70 g/mol, XLogP of 10.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 11-imidazo[1,2-f]phenanthridin-11-yloxy-5,7-diphenylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154611261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).