2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine

C56H36N4 — CID 164785689

About 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine

2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine (PubChem CID 164785689) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
• PubChem CID: 164785689
• Molecular Formula: C56H36N4
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.29
• IUPAC Name: 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine
• SMILES: c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)n6)c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)c1
• InChI: InChI=1S/C56H36N4/c1-2-19-49-47(17-1)48-18-3-4-20-50(48)52-34-39(25-26-51(49)52)46-32-44(37-11-5-13-40(29-37)53-21-7-23-55(59-53)42-15-9-27-57-35-42)31-45(33-46)38-12-6-14-41(30-38)54-22-8-24-56(60-54)43-16-10-28-58-36-43/h1-36H
• InChIKey: CEWOJPPVSFZDOO-UHFFFAOYSA-N
• XLogP: 14.40
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	14.40
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 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine?

The IUPAC name of 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine (CID 164785689) is 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine.

What is the SMILES notation for 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine?

The canonical SMILES for 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine is c1cncc(-c2cccc(-c3cccc(-c4cc(-c5cccc(-c6cccc(-c7cccnc7)n6)c5)cc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)n2)c1.

What is the InChIKey of 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine?

The InChIKey is CEWOJPPVSFZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-2-19-49-47(17-1)48-18-3-4-20-50(48)52-34-39(25-26-51(49)52)46-32-44(37-11-5-13-40(29-37)53-21-7-23-55(59-53)42-15-9-27-57-35-42)31-45(33-46)38-12-6-14-41(30-38)54-22-8-24-56(60-54)43-16-10-28-58-36-43/h1-36H.

What are the key properties of 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine?

2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine has a molecular weight of 764.93 g/mol, XLogP of 14.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-pyridin-3-yl-6-[3-[3-[3-(6-pyridin-3-yl-2-pyridinyl)phenyl]-5-triphenylen-2-ylphenyl]phenyl]pyridine is sourced from PubChem (CID 164785689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).