4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine

C52H34N2 — CID 118014141

About 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine

4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine (PubChem CID 118014141) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine.

Molecular Properties

• Compound Name: 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
• PubChem CID: 118014141
• Molecular Formula: C52H34N2
• Molecular Weight: 686.86 g/mol
• Exact Mass: 686.27
• IUPAC Name: 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine
• SMILES: c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)c4)c3)c3c4ccccc4c4ccccc4c23)cc1
• InChI: InChI=1S/C52H34N2/c1-2-10-37(11-3-1)45-20-21-46(52-50-19-7-5-17-48(50)47-16-4-6-18-49(47)51(45)52)41-15-9-13-39(31-41)38-12-8-14-40(30-38)44-33-42(35-22-26-53-27-23-35)32-43(34-44)36-24-28-54-29-25-36/h1-34H
• InChIKey: BRUYAWUAEIBQPU-UHFFFAOYSA-N
• XLogP: 13.94
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	686.86
LogP ≤ 5	13.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine?

The IUPAC name of 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine (CID 118014141) is 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine.

What is the SMILES notation for 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine?

The canonical SMILES for 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine is c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5cc(-c6ccncc6)cc(-c6ccncc6)c5)c4)c3)c3c4ccccc4c4ccccc4c23)cc1.

What is the InChIKey of 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine?

The InChIKey is BRUYAWUAEIBQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-2-10-37(11-3-1)45-20-21-46(52-50-19-7-5-17-48(50)47-16-4-6-18-49(47)51(45)52)41-15-9-13-39(31-41)38-12-8-14-40(30-38)44-33-42(35-22-26-53-27-23-35)32-43(34-44)36-24-28-54-29-25-36/h1-34H.

What are the key properties of 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine?

4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine has a molecular weight of 686.86 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[3-[3-(4-phenyltriphenylen-1-yl)phenyl]phenyl]-5-pyridin-4-ylphenyl]pyridine is sourced from PubChem (CID 118014141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).