5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine

C36H46N4O6 — CID 101377318

About 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine

5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine (PubChem CID 101377318) has the molecular formula C36H46N4O6 and a molecular weight of 630.79 g/mol. Its IUPAC name is 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine.

Molecular Properties

• Compound Name: 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine
• PubChem CID: 101377318
• Molecular Formula: C36H46N4O6
• Molecular Weight: 630.79 g/mol
• Exact Mass: 630.34
• IUPAC Name: 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine
• SMILES: COCCOCCOCCn1cccc1/C=C/c1ccc(-c2ccc(/C=C/c3cccn3CCOCCOCCOC)cn2)nc1
• InChI: InChI=1S/C36H46N4O6/c1-41-21-23-45-27-25-43-19-17-39-15-3-5-33(39)11-7-31-9-13-35(37-29-31)36-14-10-32(30-38-36)8-12-34-6-4-16-40(34)18-20-44-26-28-46-24-22-42-2/h3-16,29-30H,17-28H2,1-2H3/b11-7+,12-8+
• InChIKey: ZOFCLWLZVSRAIU-MKICQXMISA-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': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

The IUPAC name of 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine (CID 101377318) is 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine.

What is the SMILES notation for 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

The canonical SMILES for 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine is COCCOCCOCCn1cccc1/C=C/c1ccc(-c2ccc(/C=C/c3cccn3CCOCCOCCOC)cn2)nc1.

What is the InChIKey of 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

The InChIKey is ZOFCLWLZVSRAIU-MKICQXMISA-N. The full InChI is InChI=1S/C36H46N4O6/c1-41-21-23-45-27-25-43-19-17-39-15-3-5-33(39)11-7-31-9-13-35(37-29-31)36-14-10-32(30-38-36)8-12-34-6-4-16-40(34)18-20-44-26-28-46-24-22-42-2/h3-16,29-30H,17-28H2,1-2H3/b11-7+,12-8+.

What are the key properties of 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine?

5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(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 5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-[5-[(E)-2-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrrol-2-yl]ethenyl]-2-pyridinyl]pyridine is sourced from PubChem (CID 101377318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).