3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine

C46H34N4O — CID 154610637

About 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine

3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine (PubChem CID 154610637) has the molecular formula C46H34N4O and a molecular weight of 658.81 g/mol. Its IUPAC name is 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
• PubChem CID: 154610637
• Molecular Formula: C46H34N4O
• Molecular Weight: 658.81 g/mol
• Exact Mass: 658.27
• IUPAC Name: 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
• SMILES: Cc1cccc(C)c1-c1cccc2c3ccc(Oc4ccc5c6ccccc6n6c(-c7c(C)cccc7C)cnc6c5c4)cc3c3nccn3c12
• InChI: InChI=1S/C46H34N4O/c1-27-10-7-11-28(2)42(27)37-16-9-15-36-34-21-19-31(24-38(34)45-47-22-23-49(45)44(36)37)51-32-18-20-33-35-14-5-6-17-40(35)50-41(26-48-46(50)39(33)25-32)43-29(3)12-8-13-30(43)4/h5-26H,1-4H3
• InChIKey: VTFIGROYAHLKKQ-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 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine (CID 154610637) is 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

The canonical SMILES for 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine is Cc1cccc(C)c1-c1cccc2c3ccc(Oc4ccc5c6ccccc6n6c(-c7c(C)cccc7C)cnc6c5c4)cc3c3nccn3c12.

What is the InChIKey of 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

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

What are the key properties of 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine?

3-(2,6-dimethylphenyl)-11-[5-(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 3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 154610637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).