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

C44H30N2 — CID 88551723

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

4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine (PubChem CID 88551723) has the molecular formula C44H30N2 and a molecular weight of 586.74 g/mol. Its IUPAC name is 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine.

Molecular Properties

• Compound Name: 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine
• PubChem CID: 88551723
• Molecular Formula: C44H30N2
• Molecular Weight: 586.74 g/mol
• Exact Mass: 586.24
• IUPAC Name: 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine
• SMILES: C1=C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)N=C(c2ccncc2)CC1
• InChI: InChI=1S/C44H30N2/c1-2-11-31-28-32(21-20-29(31)10-1)43-36-14-5-7-16-38(36)44(39-17-8-6-15-37(39)43)40-23-22-35(33-12-3-4-13-34(33)40)42-19-9-18-41(46-42)30-24-26-45-27-25-30/h1-8,10-17,19-28H,9,18H2
• InChIKey: YXCNCTWTKGQNPQ-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 25.25 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.74
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	0
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 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine?

The IUPAC name of 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine (CID 88551723) is 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine.

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

The canonical SMILES for 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine is C1=C(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)N=C(c2ccncc2)CC1.

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

The InChIKey is YXCNCTWTKGQNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N2/c1-2-11-31-28-32(21-20-29(31)10-1)43-36-14-5-7-16-38(36)44(39-17-8-6-15-37(39)43)40-23-22-35(33-12-3-4-13-34(33)40)42-19-9-18-41(46-42)30-24-26-45-27-25-30/h1-8,10-17,19-28H,9,18H2.

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

4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine has a molecular weight of 586.74 g/mol, XLogP of 11.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-3,4-dihydropyridin-2-yl]pyridine is sourced from PubChem (CID 88551723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).