N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide

C55H78ClN10O8+ — CID 174077269

About N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide (PubChem CID 174077269) has the molecular formula C55H78ClN10O8+ and a molecular weight of 1042.74 g/mol. Its IUPAC name is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide.

Molecular Properties

• Compound Name: N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide
• PubChem CID: 174077269
• Molecular Formula: C55H78ClN10O8+
• Molecular Weight: 1042.74 g/mol
• Exact Mass: 1041.57
• IUPAC Name: N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide
• SMILES: CC1(C)C(=CC=C2CCC(C=CC3=[N+](CCCCCC(=O)NCCOCCOCCON=[N+]=[N-])c4ccccc4C3(C)C)=C2Cl)N(CCCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])c2ccccc21
• InChI: InChI=1S/C55H77ClN10O8/c1-54(2)45-15-9-11-17-47(45)65(30-13-5-7-19-51(67)59-27-32-69-35-38-72-39-37-71-34-29-61-62-57)49(54)25-23-43-21-22-44(53(43)56)24-26-50-55(3,4)46-16-10-12-18-48(46)66(50)31-14-6-8-20-52(68)60-28-33-70-36-40-73-41-42-74-64-63-58/h9-12,15-18,23-26H,5-8,13-14,19-22,27-42H2,1-4H3,(H-,59,60,67,68)/p+1
• InChIKey: BMWGADMPJWXCJM-UHFFFAOYSA-O
• XLogP: 10.50
• TPSA: 217.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 37
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1042.74
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide?

The IUPAC name of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide (CID 174077269) is N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide.

What is the SMILES notation for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide?

The canonical SMILES for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide is CC1(C)C(=CC=C2CCC(C=CC3=[N+](CCCCCC(=O)NCCOCCOCCON=[N+]=[N-])c4ccccc4C3(C)C)=C2Cl)N(CCCCCC(=O)NCCOCCOCCOCCN=[N+]=[N-])c2ccccc21.

What is the InChIKey of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide?

The InChIKey is BMWGADMPJWXCJM-UHFFFAOYSA-O. The full InChI is InChI=1S/C55H77ClN10O8/c1-54(2)45-15-9-11-17-47(45)65(30-13-5-7-19-51(67)59-27-32-69-35-38-72-39-37-71-34-29-61-62-57)49(54)25-23-43-21-22-44(53(43)56)24-26-50-55(3,4)46-16-10-12-18-48(46)66(50)31-14-6-8-20-52(68)60-28-33-70-36-40-73-41-42-74-64-63-58/h9-12,15-18,23-26H,5-8,13-14,19-22,27-42H2,1-4H3,(H-,59,60,67,68)/p+1.

What are the key properties of N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide?

N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide has a molecular weight of 1042.74 g/mol, XLogP of 10.50, 37 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-[2-[2-[3-[2-[1-[6-[2-[2-(2-azidooxyethoxy)ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]ethenyl]-2-chlorocyclopent-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanamide is sourced from PubChem (CID 174077269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).