2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine

C46H34N2 — CID 88551965

About 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine

2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine (PubChem CID 88551965) has the molecular formula C46H34N2 and a molecular weight of 614.79 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
• PubChem CID: 88551965
• Molecular Formula: C46H34N2
• Molecular Weight: 614.79 g/mol
• Exact Mass: 614.27
• IUPAC Name: 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine
• SMILES: CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5C5=CC=CNC5)c5ccccc45)c4ccccc34)ccc2c1
• InChI: InChI=1S/C46H34N2/c1-2-30-19-20-32-28-33(22-21-31(32)27-30)44-38-14-5-7-16-40(38)45(41-17-8-6-15-39(41)44)42-24-23-37(35-12-3-4-13-36(35)42)43-18-10-26-48-46(43)34-11-9-25-47-29-34/h3-28,47H,2,29H2,1H3
• InChIKey: NPHSACZQGKDYKR-UHFFFAOYSA-N
• XLogP: 11.76
• TPSA: 24.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	614.79
LogP ≤ 5	11.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?

The IUPAC name of 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine (CID 88551965) is 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine.

What is the SMILES notation for 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?

The canonical SMILES for 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine is CCc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccnc5C5=CC=CNC5)c5ccccc45)c4ccccc34)ccc2c1.

What is the InChIKey of 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?

The InChIKey is NPHSACZQGKDYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2/c1-2-30-19-20-32-28-33(22-21-31(32)27-30)44-38-14-5-7-16-40(38)45(41-17-8-6-15-39(41)44)42-24-23-37(35-12-3-4-13-36(35)42)43-18-10-26-48-46(43)34-11-9-25-47-29-34/h3-28,47H,2,29H2,1H3.

What are the key properties of 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine?

2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine has a molecular weight of 614.79 g/mol, XLogP of 11.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,2-dihydropyridin-3-yl)-3-[4-[10-(6-ethylnaphthalen-2-yl)anthracen-9-yl]naphthalen-1-yl]pyridine is sourced from PubChem (CID 88551965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).