2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine

C46H30N2 — CID 118014153

About 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine

2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 118014153) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
• PubChem CID: 118014153
• Molecular Formula: C46H30N2
• Molecular Weight: 610.76 g/mol
• Exact Mass: 610.24
• IUPAC Name: 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine
• SMILES: c1ccc(-c2cc(-c3cccnc3)cc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c2)nc1
• InChI: InChI=1S/C46H30N2/c1-2-12-39(36-26-35(34-10-9-24-47-30-34)27-37(28-36)46-17-7-8-25-48-46)38(11-1)32-20-18-31(19-21-32)33-22-23-44-42-15-4-3-13-40(42)41-14-5-6-16-43(41)45(44)29-33/h1-30H
• InChIKey: KSOHXWAEEHEZKO-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.76
LogP ≤ 5	12.27
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 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine?

The IUPAC name of 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine (CID 118014153) is 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine.

What is the SMILES notation for 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine?

The canonical SMILES for 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine is c1ccc(-c2cc(-c3cccnc3)cc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)c2)nc1.

What is the InChIKey of 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine?

The InChIKey is KSOHXWAEEHEZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-2-12-39(36-26-35(34-10-9-24-47-30-34)27-37(28-36)46-17-7-8-25-48-46)38(11-1)32-20-18-31(19-21-32)33-22-23-44-42-15-4-3-13-40(42)41-14-5-6-16-43(41)45(44)29-33/h1-30H.

What are the key properties of 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine?

2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 610.76 g/mol, XLogP of 12.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-pyridin-3-yl-5-[2-(4-triphenylen-2-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 118014153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).