2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol

C38H56N2O7 — CID 165430073

About 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol

2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol (PubChem CID 165430073) has the molecular formula C38H56N2O7 and a molecular weight of 652.87 g/mol. Its IUPAC name is 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol
• PubChem CID: 165430073
• Molecular Formula: C38H56N2O7
• Molecular Weight: 652.87 g/mol
• Exact Mass: 652.41
• IUPAC Name: 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol
• SMILES: COCCOCCOCCOCCNc1ccccc1C(C)(C)/C=C/C=C/C=C1/N(COCCOCCO)c2ccccc2C1(C)C
• InChI: InChI=1S/C38H56N2O7/c1-37(2,32-13-8-10-15-34(32)39-19-21-43-25-26-46-28-27-45-24-23-42-5)18-12-6-7-17-36-38(3,4)33-14-9-11-16-35(33)40(36)31-47-30-29-44-22-20-41/h6-18,39,41H,19-31H2,1-5H3/b7-6+,18-12+,36-17+
• InChIKey: JGVZBXHDCOXZNJ-UOCBADICSA-N
• XLogP: 5.85
• TPSA: 90.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 24
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.87
LogP ≤ 5	5.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol (CID 165430073) is 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol is COCCOCCOCCOCCNc1ccccc1C(C)(C)/C=C/C=C/C=C1/N(COCCOCCO)c2ccccc2C1(C)C.

What is the InChIKey of 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol?

The InChIKey is JGVZBXHDCOXZNJ-UOCBADICSA-N. The full InChI is InChI=1S/C38H56N2O7/c1-37(2,32-13-8-10-15-34(32)39-19-21-43-25-26-46-28-27-45-24-23-42-5)18-12-6-7-17-36-38(3,4)33-14-9-11-16-35(33)40(36)31-47-30-29-44-22-20-41/h6-18,39,41H,19-31H2,1-5H3/b7-6+,18-12+,36-17+.

What are the key properties of 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol?

2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol has a molecular weight of 652.87 g/mol, XLogP of 5.85, 24 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[(2E)-2-[(2E,4E)-6-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]phenyl]-6-methylhepta-2,4-dienylidene]-3,3-dimethylindol-1-yl]methoxy]ethoxy]ethanol is sourced from PubChem (CID 165430073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).