10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine

C48H38N4 — CID 153422736

About 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine

10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine (PubChem CID 153422736) has the molecular formula C48H38N4 and a molecular weight of 670.86 g/mol. Its IUPAC name is 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine.

Molecular Properties

• Compound Name: 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
• PubChem CID: 153422736
• Molecular Formula: C48H38N4
• Molecular Weight: 670.86 g/mol
• Exact Mass: 670.31
• IUPAC Name: 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine
• SMILES: Cc1cc(C)cc(-c2c(-c3ccc4c(c3)c3ccccc3n3c(C)c(C)nc43)cccc2-c2ccc3c(c2)c2ccccc2n2c(C)c(C)nc32)c1
• InChI: InChI=1S/C48H38N4/c1-27-22-28(2)24-35(23-27)46-36(33-18-20-40-42(25-33)38-12-7-9-16-44(38)51-31(5)29(3)49-47(40)51)14-11-15-37(46)34-19-21-41-43(26-34)39-13-8-10-17-45(39)52-32(6)30(4)50-48(41)52/h7-26H,1-6H3
• InChIKey: VOCXYNSDZHSGLD-UHFFFAOYSA-N
• XLogP: 12.45
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	670.86
LogP ≤ 5	12.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

The IUPAC name of 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine (CID 153422736) is 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine.

What is the SMILES notation for 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

The canonical SMILES for 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine is Cc1cc(C)cc(-c2c(-c3ccc4c(c3)c3ccccc3n3c(C)c(C)nc43)cccc2-c2ccc3c(c2)c2ccccc2n2c(C)c(C)nc32)c1.

What is the InChIKey of 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

The InChIKey is VOCXYNSDZHSGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N4/c1-27-22-28(2)24-35(23-27)46-36(33-18-20-40-42(25-33)38-12-7-9-16-44(38)51-31(5)29(3)49-47(40)51)14-11-15-37(46)34-19-21-41-43(26-34)39-13-8-10-17-45(39)52-32(6)30(4)50-48(41)52/h7-26H,1-6H3.

What are the key properties of 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine?

10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine has a molecular weight of 670.86 g/mol, XLogP of 12.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(2,3-dimethylimidazo[1,2-f]phenanthridin-10-yl)-2-(3,5-dimethylphenyl)phenyl]-2,3-dimethylimidazo[1,2-f]phenanthridine is sourced from PubChem (CID 153422736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).