3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide

C50H68N7O10+ — CID 136993179

About 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide

3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide (PubChem CID 136993179) has the molecular formula C50H68N7O10+ and a molecular weight of 927.13 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide
• PubChem CID: 136993179
• Molecular Formula: C50H68N7O10+
• Molecular Weight: 927.13 g/mol
• Exact Mass: 926.50
• IUPAC Name: 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide
• SMILES: CC1(C)C(/C=C/C=C/C=C2/N(CCOCCOCCOCCN=[N+]=[N-])c3ccccc3C2(C)C)=[N+](CCOCCOCCOCCOCCC(=O)NCCN2C(=O)C=CC2=O)c2ccccc21
• InChI: InChI=1S/C50H67N7O10/c1-49(2)40-12-8-10-14-42(40)55(24-28-63-32-36-66-35-31-62-27-22-53-54-51)44(49)16-6-5-7-17-45-50(3,4)41-13-9-11-15-43(41)56(45)25-29-64-33-37-67-39-38-65-34-30-61-26-20-46(58)52-21-23-57-47(59)18-19-48(57)60/h5-19H,20-39H2,1-4H3/p+1
• InChIKey: QTQORFPBHDYOLT-UHFFFAOYSA-O
• XLogP: 5.71
• TPSA: 186.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.13
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
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': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?

The IUPAC name of 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide (CID 136993179) is 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide.

What is the SMILES notation for 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?

The canonical SMILES for 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide is CC1(C)C(/C=C/C=C/C=C2/N(CCOCCOCCOCCN=[N+]=[N-])c3ccccc3C2(C)C)=[N+](CCOCCOCCOCCOCCC(=O)NCCN2C(=O)C=CC2=O)c2ccccc21.

What is the InChIKey of 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?

The InChIKey is QTQORFPBHDYOLT-UHFFFAOYSA-O. The full InChI is InChI=1S/C50H67N7O10/c1-49(2)40-12-8-10-14-42(40)55(24-28-63-32-36-66-35-31-62-27-22-53-54-51)44(49)16-6-5-7-17-45-50(3,4)41-13-9-11-15-43(41)56(45)25-29-64-33-37-67-39-38-65-34-30-61-26-20-46(58)52-21-23-57-47(59)18-19-48(57)60/h5-19H,20-39H2,1-4H3/p+1.

What are the key properties of 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide?

3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide has a molecular weight of 927.13 g/mol, XLogP of 5.71, 33 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[(1E,3E,5E)-5-[1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]-N-[2-(2,5-dioxopyrrol-1-yl)ethyl]propanamide is sourced from PubChem (CID 136993179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).