3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

C50H34N4 — CID 134591983

About 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine

3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (PubChem CID 134591983) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.

Molecular Properties

• Compound Name: 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
• PubChem CID: 134591983
• Molecular Formula: C50H34N4
• Molecular Weight: 690.85 g/mol
• Exact Mass: 690.28
• IUPAC Name: 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
• SMILES: Cc1c2c(-c3ccccc3)nc3cc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12
• InChI: InChI=1S/C50H34N4/c1-31-45-39-19-9-10-22-43(39)53-49(33-15-5-3-6-16-33)47(45)32(2)46-40-24-23-35(30-44(40)54-50(48(31)46)34-17-7-4-8-18-34)36-27-37(41-20-11-13-25-51-41)29-38(28-36)42-21-12-14-26-52-42/h3-30H,1-2H3
• InChIKey: JNZPCWIQMAZTQG-UHFFFAOYSA-N
• XLogP: 12.83
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.85
LogP ≤ 5	12.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?

The IUPAC name of 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine (CID 134591983) is 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine.

What is the SMILES notation for 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?

The canonical SMILES for 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is Cc1c2c(-c3ccccc3)nc3cc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)ccc3c2c(C)c2c(-c3ccccc3)nc3ccccc3c12.

What is the InChIKey of 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?

The InChIKey is JNZPCWIQMAZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-31-45-39-19-9-10-22-43(39)53-49(33-15-5-3-6-16-33)47(45)32(2)46-40-24-23-35(30-44(40)54-50(48(31)46)34-17-7-4-8-18-34)36-27-37(41-20-11-13-25-51-41)29-38(28-36)42-21-12-14-26-52-42/h3-30H,1-2H3.

What are the key properties of 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine?

3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine has a molecular weight of 690.85 g/mol, XLogP of 12.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine is sourced from PubChem (CID 134591983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).