8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine

C46H34N4O — CID 154610256

About 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine

8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine (PubChem CID 154610256) has the molecular formula C46H34N4O and a molecular weight of 658.81 g/mol. Its IUPAC name is 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154610256
• Molecular Formula: C46H34N4O
• Molecular Weight: 658.81 g/mol
• Exact Mass: 658.27
• IUPAC Name: 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
• SMILES: Cc1cccc(C)c1-c1cccc2c1c1ccc(Oc3ccc4c(c3)c3nccn3c3cccc(-c5c(C)cccc5C)c43)cc1c1nccn21
• InChI: InChI=1S/C46H34N4O/c1-27-9-5-10-28(2)41(27)35-13-7-15-39-43(35)33-19-17-31(25-37(33)45-47-21-23-49(39)45)51-32-18-20-34-38(26-32)46-48-22-24-50(46)40-16-8-14-36(44(34)40)42-29(3)11-6-12-30(42)4/h5-26H,1-4H3
• InChIKey: NVTOEEAZGDXMSR-UHFFFAOYSA-N
• XLogP: 11.95
• TPSA: 43.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	658.81
LogP ≤ 5	11.95
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 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine (CID 154610256) is 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

The canonical SMILES for 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine is Cc1cccc(C)c1-c1cccc2c1c1ccc(Oc3ccc4c(c3)c3nccn3c3cccc(-c5c(C)cccc5C)c43)cc1c1nccn21.

What is the InChIKey of 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

The InChIKey is NVTOEEAZGDXMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O/c1-27-9-5-10-28(2)41(27)35-13-7-15-39-43(35)33-19-17-31(25-37(33)45-47-21-23-49(39)45)51-32-18-20-34-38(26-32)46-48-22-24-50(46)40-16-8-14-36(44(34)40)42-29(3)11-6-12-30(42)4/h5-26H,1-4H3.

What are the key properties of 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine has a molecular weight of 658.81 g/mol, XLogP of 11.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dimethylphenyl)-11-[8-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).