4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine

C36H46N4O6 — CID 102325542

About 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine

4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine (PubChem CID 102325542) has the molecular formula C36H46N4O6 and a molecular weight of 630.79 g/mol. Its IUPAC name is 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine.

Molecular Properties

• Compound Name: 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine
• PubChem CID: 102325542
• Molecular Formula: C36H46N4O6
• Molecular Weight: 630.79 g/mol
• Exact Mass: 630.34
• IUPAC Name: 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine
• SMILES: COCCOCCOCCn1cccc1/C=C/c1ccnc(-c2cc(/C=C/c3cccn3CCOCCOCCOC)ccn2)c1
• InChI: InChI=1S/C36H46N4O6/c1-41-21-23-45-27-25-43-19-17-39-15-3-5-33(39)9-7-31-11-13-37-35(29-31)36-30-32(12-14-38-36)8-10-34-6-4-16-40(34)18-20-44-26-28-46-24-22-42-2/h3-16,29-30H,17-28H2,1-2H3/b9-7+,10-8+
• InChIKey: ZYIZPVBATLTRLO-FIFLTTCUSA-N
• XLogP: 5.45
• TPSA: 91.02 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.79
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

The IUPAC name of 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine (CID 102325542) is 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine.

What is the SMILES notation for 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

The canonical SMILES for 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine is COCCOCCOCCn1cccc1/C=C/c1ccnc(-c2cc(/C=C/c3cccn3CCOCCOCCOC)ccn2)c1.

What is the InChIKey of 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

The InChIKey is ZYIZPVBATLTRLO-FIFLTTCUSA-N. The full InChI is InChI=1S/C36H46N4O6/c1-41-21-23-45-27-25-43-19-17-39-15-3-5-33(39)9-7-31-11-13-37-35(29-31)36-30-32(12-14-38-36)8-10-34-6-4-16-40(34)18-20-44-26-28-46-24-22-42-2/h3-16,29-30H,17-28H2,1-2H3/b9-7+,10-8+.

What are the key properties of 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine has a molecular weight of 630.79 g/mol, XLogP of 5.45, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[4-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 102325542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).