2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine

C49H70N4O15 — CID 53304585

About 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine

2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine (PubChem CID 53304585) has the molecular formula C49H70N4O15 and a molecular weight of 955.11 g/mol. Its IUPAC name is 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine.

Molecular Properties

• Compound Name: 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine
• PubChem CID: 53304585
• Molecular Formula: C49H70N4O15
• Molecular Weight: 955.11 g/mol
• Exact Mass: 954.48
• IUPAC Name: 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine
• SMILES: COCCOCCOCCOCCOc1cc(/C=C/c2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc(OCCOCCOCCOCCOC)c1OCCOCCOCCOCCOC
• InChI: InChI=1S/C49H70N4O15/c1-54-14-17-57-20-23-60-26-29-63-32-35-66-46-38-41(10-11-42-40-45(43-8-4-6-12-50-43)53-49(52-42)44-9-5-7-13-51-44)39-47(67-36-33-64-30-27-61-24-21-58-18-15-55-2)48(46)68-37-34-65-31-28-62-25-22-59-19-16-56-3/h4-13,38-40H,14-37H2,1-3H3/b11-10+
• InChIKey: WXRARFNCYHMZON-ZHACJKMWSA-N
• XLogP: 5.00
• TPSA: 190.01 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 43
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.11
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine?

The IUPAC name of 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine (CID 53304585) is 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine.

What is the SMILES notation for 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine?

The canonical SMILES for 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine is COCCOCCOCCOCCOc1cc(/C=C/c2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc(OCCOCCOCCOCCOC)c1OCCOCCOCCOCCOC.

What is the InChIKey of 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine?

The InChIKey is WXRARFNCYHMZON-ZHACJKMWSA-N. The full InChI is InChI=1S/C49H70N4O15/c1-54-14-17-57-20-23-60-26-29-63-32-35-66-46-38-41(10-11-42-40-45(43-8-4-6-12-50-43)53-49(52-42)44-9-5-7-13-51-44)39-47(67-36-33-64-30-27-61-24-21-58-18-15-55-2)48(46)68-37-34-65-31-28-62-25-22-59-19-16-56-3/h4-13,38-40H,14-37H2,1-3H3/b11-10+.

What are the key properties of 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine?

2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine has a molecular weight of 955.11 g/mol, XLogP of 5.00, 43 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dipyridin-2-yl-6-[(E)-2-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]ethenyl]pyrimidine is sourced from PubChem (CID 53304585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).