5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine

C46H34N4O — CID 170672592

About 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine

5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine (PubChem CID 170672592) has the molecular formula C46H34N4O and a molecular weight of 658.81 g/mol. Its IUPAC name is 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine
• PubChem CID: 170672592
• Molecular Formula: C46H34N4O
• Molecular Weight: 658.81 g/mol
• Exact Mass: 658.27
• IUPAC Name: 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine
• SMILES: Cc1cccc(C)c1-c1cc(-c2c(C)cccc2C)c2c(c1)c1ccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)cc1c1nccn12
• InChI: InChI=1S/C46H34N4O/c1-27-9-7-10-28(2)42(27)31-23-37-35-18-16-33(51-32-15-17-34-36-13-5-6-14-41(36)49-21-19-47-45(49)38(34)25-32)26-39(35)46-48-20-22-50(46)44(37)40(24-31)43-29(3)11-8-12-30(43)4/h5-26H,1-4H3
• InChIKey: QTCQRSDJWNHMDI-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 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine?

The IUPAC name of 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine (CID 170672592) is 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine?

The canonical SMILES for 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine is Cc1cccc(C)c1-c1cc(-c2c(C)cccc2C)c2c(c1)c1ccc(Oc3ccc4c5ccccc5n5ccnc5c4c3)cc1c1nccn12.

What is the InChIKey of 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine?

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

What are the key properties of 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine?

5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[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 5,7-bis(2,6-dimethylphenyl)-11-imidazo[1,2-f]phenanthridin-11-yloxyimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 170672592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).