3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine

C52H34N4 — CID 146549139

About 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine

3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine (PubChem CID 146549139) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine.

Molecular Properties

• Compound Name: 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
• PubChem CID: 146549139
• Molecular Formula: C52H34N4
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.28
• IUPAC Name: 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine
• SMILES: c1ccc(-c2cccc(-c3nc4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)ccc4c4c(-c5ccccc5)cccc34)c2)cc1
• InChI: InChI=1S/C52H34N4/c1-3-13-35(14-4-1)39-17-11-18-41(31-39)52-45-20-12-19-43(38-15-5-2-6-16-38)51(45)44-28-27-40(32-48(44)56-52)36-23-25-37(26-24-36)42-33-49(46-21-7-9-29-53-46)55-50(34-42)47-22-8-10-30-54-47/h1-34H
• InChIKey: FGDHPPMQPFWFAF-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	13.24
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 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine?

The IUPAC name of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine (CID 146549139) is 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine.

What is the SMILES notation for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine?

The canonical SMILES for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine is c1ccc(-c2cccc(-c3nc4cc(-c5ccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)cc5)ccc4c4c(-c5ccccc5)cccc34)c2)cc1.

What is the InChIKey of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine?

The InChIKey is FGDHPPMQPFWFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-13-35(14-4-1)39-17-11-18-41(31-39)52-45-20-12-19-43(38-15-5-2-6-16-38)51(45)44-28-27-40(32-48(44)56-52)36-23-25-37(26-24-36)42-33-49(46-21-7-9-29-53-46)55-50(34-42)47-22-8-10-30-54-47/h1-34H.

What are the key properties of 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine?

3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine has a molecular weight of 714.87 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-10-phenyl-6-(3-phenylphenyl)phenanthridine is sourced from PubChem (CID 146549139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).