2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium

C46H68N5O10+ — CID 156597067

About 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium

2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium (PubChem CID 156597067) has the molecular formula C46H68N5O10+ and a molecular weight of 851.07 g/mol. Its IUPAC name is 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium.

Molecular Properties

• Compound Name: 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium
• PubChem CID: 156597067
• Molecular Formula: C46H68N5O10+
• Molecular Weight: 851.07 g/mol
• Exact Mass: 850.50
• IUPAC Name: 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium
• SMILES: COCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(/C=C/C=C/C=C1N(C)c3ccc(OCCOCCOCCOCCOCCN=[N+]=[N-])cc3C1(C)C)=[N+]2C
• InChI: InChI=1S/C46H68N5O10/c1-45(2)39-35-37(60-33-31-58-29-27-56-24-23-54-20-19-52-7)13-15-41(39)50(5)43(45)11-9-8-10-12-44-46(3,4)40-36-38(14-16-42(40)51(44)6)61-34-32-59-30-28-57-26-25-55-22-21-53-18-17-48-49-47/h8-16,35-36H,17-34H2,1-7H3/q+1
• InChIKey: ODJCUJGQQICLJK-UHFFFAOYSA-N
• XLogP: 6.95
• TPSA: 147.31 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 32
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	851.07
LogP ≤ 5	6.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium?

The IUPAC name of 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium (CID 156597067) is 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium.

What is the SMILES notation for 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium?

The canonical SMILES for 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium is COCCOCCOCCOCCOc1ccc2c(c1)C(C)(C)C(/C=C/C=C/C=C1N(C)c3ccc(OCCOCCOCCOCCOCCN=[N+]=[N-])cc3C1(C)C)=[N+]2C.

What is the InChIKey of 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium?

The InChIKey is ODJCUJGQQICLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H68N5O10/c1-45(2)39-35-37(60-33-31-58-29-27-56-24-23-54-20-19-52-7)13-15-41(39)50(5)43(45)11-9-8-10-12-44-46(3,4)40-36-38(14-16-42(40)51(44)6)61-34-32-59-30-28-57-26-25-55-22-21-53-18-17-48-49-47/h8-16,35-36H,17-34H2,1-7H3/q+1.

What are the key properties of 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium?

2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium has a molecular weight of 851.07 g/mol, XLogP of 6.95, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1E,3E)-5-[5-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-2-ylidene]penta-1,3-dienyl]-5-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1,3,3-trimethylindol-1-ium is sourced from PubChem (CID 156597067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).