4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine

C48H42N6O6 — CID 101272846

About 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine

4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine (PubChem CID 101272846) has the molecular formula C48H42N6O6 and a molecular weight of 798.90 g/mol. Its IUPAC name is 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

• Compound Name: 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine
• PubChem CID: 101272846
• Molecular Formula: C48H42N6O6
• Molecular Weight: 798.90 g/mol
• Exact Mass: 798.32
• IUPAC Name: 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine
• SMILES: c1ccc(-c2cc(OCCOCCOc3ccc4ccc(OCCOCCOc5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4c3)cc(-c3ccccn3)n2)nc1
• InChI: InChI=1S/C48H42N6O6/c1-5-17-49-41(9-1)45-31-39(32-46(53-45)42-10-2-6-18-50-42)59-27-23-55-21-25-57-37-15-13-35-14-16-38(30-36(35)29-37)58-26-22-56-24-28-60-40-33-47(43-11-3-7-19-51-43)54-48(34-40)44-12-4-8-20-52-44/h1-20,29-34H,21-28H2
• InChIKey: HADLAKMSFXLOJI-UHFFFAOYSA-N
• XLogP: 8.83
• TPSA: 132.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 20
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	798.90
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine?

The IUPAC name of 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine (CID 101272846) is 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine.

What is the SMILES notation for 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine?

The canonical SMILES for 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(OCCOCCOc3ccc4ccc(OCCOCCOc5cc(-c6ccccn6)nc(-c6ccccn6)c5)cc4c3)cc(-c3ccccn3)n2)nc1.

What is the InChIKey of 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine?

The InChIKey is HADLAKMSFXLOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N6O6/c1-5-17-49-41(9-1)45-31-39(32-46(53-45)42-10-2-6-18-50-42)59-27-23-55-21-25-57-37-15-13-35-14-16-38(30-36(35)29-37)58-26-22-56-24-28-60-40-33-47(43-11-3-7-19-51-43)54-48(34-40)44-12-4-8-20-52-44/h1-20,29-34H,21-28H2.

What are the key properties of 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine?

4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine has a molecular weight of 798.90 g/mol, XLogP of 8.83, 20 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-[7-[2-[2-[(2,6-dipyridin-2-yl-4-pyridinyl)oxy]ethoxy]ethoxy]naphthalen-2-yl]oxyethoxy]ethoxy]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 101272846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).