1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

C54H46N2 — CID 59219664

About 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine

1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (PubChem CID 59219664) has the molecular formula C54H46N2 and a molecular weight of 722.98 g/mol. Its IUPAC name is 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

Molecular Properties

• Compound Name: 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• PubChem CID: 59219664
• Molecular Formula: C54H46N2
• Molecular Weight: 722.98 g/mol
• Exact Mass: 722.37
• IUPAC Name: 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine
• SMILES: c1ccc2cc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)c4ccc(N5CCCCC5)cc34)ccc2c1
• InChI: InChI=1S/C54H46N2/c1-7-28-55(29-8-1)45-25-27-50-51(35-45)53(43-22-18-37-12-3-4-14-39(37)33-43)49-26-24-46(56-30-9-2-10-31-56)36-52(49)54(50)44-23-20-40-32-42(21-19-41(40)34-44)48-17-11-15-38-13-5-6-16-47(38)48/h3-6,11-27,32-36H,1-2,7-10,28-31H2
• InChIKey: DDSZCTLDQJSVOH-UHFFFAOYSA-N
• XLogP: 14.43
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	722.98
LogP ≤ 5	14.43
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 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The IUPAC name of 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine (CID 59219664) is 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine.

What is the SMILES notation for 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The canonical SMILES for 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is c1ccc2cc(-c3c4ccc(N5CCCCC5)cc4c(-c4ccc5cc(-c6cccc7ccccc67)ccc5c4)c4ccc(N5CCCCC5)cc34)ccc2c1.

What is the InChIKey of 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

The InChIKey is DDSZCTLDQJSVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N2/c1-7-28-55(29-8-1)45-25-27-50-51(35-45)53(43-22-18-37-12-3-4-14-39(37)33-43)49-26-24-46(56-30-9-2-10-31-56)36-52(49)54(50)44-23-20-40-32-42(21-19-41(40)34-44)48-17-11-15-38-13-5-6-16-47(38)48/h3-6,11-27,32-36H,1-2,7-10,28-31H2.

What are the key properties of 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine?

1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine has a molecular weight of 722.98 g/mol, XLogP of 14.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-naphthalen-2-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)-6-piperidin-1-ylanthracen-2-yl]piperidine is sourced from PubChem (CID 59219664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).