6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine

C42H26N4O — CID 154610593

About 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine

6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine (PubChem CID 154610593) has the molecular formula C42H26N4O and a molecular weight of 602.70 g/mol. Its IUPAC name is 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154610593
• Molecular Formula: C42H26N4O
• Molecular Weight: 602.70 g/mol
• Exact Mass: 602.21
• IUPAC Name: 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine
• SMILES: c1ccc(-c2ccc3c4ccc(Oc5ccc6c7ccc(-c8ccccc8)cc7n7ccnc7c6c5)cc4c4nccn4c3c2)cc1
• InChI: InChI=1S/C42H26N4O/c1-3-7-27(8-4-1)29-11-15-35-33-17-13-31(25-37(33)41-43-19-21-45(41)39(35)23-29)47-32-14-18-34-36-16-12-30(28-9-5-2-6-10-28)24-40(36)46-22-20-44-42(46)38(34)26-32/h1-26H
• InChIKey: ZVJJWCUBRHWWBZ-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 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine (CID 154610593) is 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

The canonical SMILES for 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine is c1ccc(-c2ccc3c4ccc(Oc5ccc6c7ccc(-c8ccccc8)cc7n7ccnc7c6c5)cc4c4nccn4c3c2)cc1.

What is the InChIKey of 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

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

What are the key properties of 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine?

6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[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 6-phenyl-11-(6-phenylimidazo[1,2-f]phenanthridin-11-yl)oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).