2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium

C83H143N3O30S2 — CID 157157768

IUPAC2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium
SMILESC=C.C=C.CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)O)c3ccc(SOO[O-])cc3C2(C)CCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)(CCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(S(=O)(=O)[O-])ccc21.CC[NH+](CC)CC
InChIInChI=1S/C73H120N2O30S2.C6H15N.2C2H4/c1-6-74-67-19-17-64(107(79,80)81)62-66(67)73(3,21-24-101-103-60-58-99-56-54-97-52-50-95-48-46-93-44-42-91-40-38-89-36-34-87-32-30-85-28-26-83-5)69(74)13-9-7-10-14-70-72(2,65-61-63(106-105-104-78)16-18-68(65)75(70)22-12-8-11-15-71(76)77)20-23-100-102-59-57-98-55-53-96-51-49-94-47-45-92-43-41-90-39-37-88-35-33-86-31-29-84-27-25-82-4;1-4-7(5-2)6-3;2*1-2/h7,9-10,13-14,16-19,61-62H,6,8,11-12,15,20-60H2,1-5H3,(H2-,76,77,78,79,80,81);4-6H2,1-3H3;2*1-2H2
InChIKeyALZZTIXEXYXWKY-UHFFFAOYSA-N
MW1727.18 g/mol
LogP7.39
Rot. Bonds79

About 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium

2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium (PubChem CID 157157768) has the molecular formula C83H143N3O30S2 and a molecular weight of 1727.18 g/mol. Its IUPAC name is 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium.

Molecular Properties

Compound Name2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium
PubChem CID157157768
Molecular FormulaC83H143N3O30S2
Molecular Weight1727.18 g/mol
Exact Mass1725.92
IUPAC Name2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium
SMILESC=C.C=C.CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)O)c3ccc(SOO[O-])cc3C2(C)CCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)(CCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(S(=O)(=O)[O-])ccc21.CC[NH+](CC)CC
InChIInChI=1S/C73H120N2O30S2.C6H15N.2C2H4/c1-6-74-67-19-17-64(107(79,80)81)62-66(67)73(3,21-24-101-103-60-58-99-56-54-97-52-50-95-48-46-93-44-42-91-40-38-89-36-34-87-32-30-85-28-26-83-5)69(74)13-9-7-10-14-70-72(2,65-61-63(106-105-104-78)16-18-68(65)75(70)22-12-8-11-15-71(76)77)20-23-100-102-59-57-98-55-53-96-51-49-94-47-45-92-43-41-90-39-37-88-35-33-86-31-29-84-27-25-82-4;1-4-7(5-2)6-3;2*1-2/h7,9-10,13-14,16-19,61-62H,6,8,11-12,15,20-60H2,1-5H3,(H2-,76,77,78,79,80,81);4-6H2,1-3H3;2*1-2H2
InChIKeyALZZTIXEXYXWKY-UHFFFAOYSA-N
XLogP7.39
TPSA349.77 Ų
H-Bond Donors2
H-Bond Acceptors31
Rotatable Bonds79
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001727.18
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-carboxypentyl)-2-[(1E,3E,5E,7E)-7-[1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-3-methyl-5-sulfoindol-2-ylidene]hepta-1,3,5-trienyl]-3-[2-(2-methoxyethoxy)ethyl]-3-methylindol-1-ium-5-sulfonate
CID 90386613
(2E)-2-[(E)-3-[1-(5-carboxypentyl)-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methylindole-5-sulfonate
CID 121393131
6-[2-[7-[1-ethyl-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methyl-5-sulfoindol-2-ylidene]hepta-1,3,5-trienyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methyl-5-sulfoindol-1-ium-1-yl]hexanoic acid
CID 123936746
(2E)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3-methyl-5-sulfo-3-(3-sulfopropyl)indol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-methylindole-5-sulfonate
CID 172681356
(2E)-2-[(E)-3-[1-(5-carboxypentyl)-3-methyl-5-sulfonato-3-(3-sulfopropyl)indol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-methylindole-5-sulfonate
CID 90386301
(2E)-2-[(2E,4E)-5-[1-(5-carboxypentyl)-3,3-dimethyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
CID 59408367
6-[2-[(1E,3E,5E)-5-[1-ethyl-3-(2-methoxyethyl)-3-methyl-5-sulfoindol-2-ylidene]penta-1,3-dienyl]-3-(2-methoxyethyl)-3-methyl-5-sulfoindol-1-ium-1-yl]hexanoic acid
CID 90386416
disodium;1-(5-carboxypentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-oxidoperoxysulfanylindol-2-ylidene)penta-1,3-dienyl]-3,3-dimethylindol-1-ium-5-sulfonate;1-(5-carboxypentyl)-2-[3-(1-ethyl-3,3-dimethyl-5-oxidoperoxysulfanylindol-2-ylidene)prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonate
CID 160977977
(2E)-2-[(E)-3-[1-(5-carboxypentyl)-3-(2-methoxyethyl)-3-methyl-5-sulfonatoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3-methyl-3-(3-sulfonatopropyl)indole-5-sulfonate
CID 90386236
6-[2-[(1E,3E,5E)-5-[1-ethyl-3-methyl-5-sulfo-3-(3-sulfopropyl)indol-2-ylidene]penta-1,3-dienyl]-3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methyl-5-sulfoindol-1-ium-1-yl]hexanoic acid
CID 90386284
1-(5-carboxypentyl)-2-[7-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-3-methyl-5-sulfonato-3-(3-sulfonatopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3-(2-methoxyethyl)-3-methylindole-5-sulfonate
CID 149360386
1-(5-carboxypentyl)-3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]-2-[7-[1-(2-methoxyethyl)-3-methyl-5-sulfonato-3-(3-sulfonatopropyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3-methylindole-5-sulfonate
CID 159038815

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium?
The IUPAC name of 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium (CID 157157768) is 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium.
What is the SMILES notation for 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium?
The canonical SMILES for 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium is C=C.C=C.CCN1C(=CC=CC=CC2=[N+](CCCCCC(=O)O)c3ccc(SOO[O-])cc3C2(C)CCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(C)(CCOOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)c2cc(S(=O)(=O)[O-])ccc21.CC[NH+](CC)CC.
What is the InChIKey of 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium?
The InChIKey is ALZZTIXEXYXWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H120N2O30S2.C6H15N.2C2H4/c1-6-74-67-19-17-64(107(79,80)81)62-66(67)73(3,21-24-101-103-60-58-99-56-54-97-52-50-95-48-46-93-44-42-91-40-38-89-36-34-87-32-30-85-28-26-83-5)69(74)13-9-7-10-14-70-72(2,65-61-63(106-105-104-78)16-18-68(65)75(70)22-12-8-11-15-71(76)77)20-23-100-102-59-57-98-55-53-96-51-49-94-47-45-92-43-41-90-39-37-88-35-33-86-31-29-84-27-25-82-4;1-4-7(5-2)6-3;2*1-2/h7,9-10,13-14,16-19,61-62H,6,8,11-12,15,20-60H2,1-5H3,(H2-,76,77,78,79,80,81);4-6H2,1-3H3;2*1-2H2.
What are the key properties of 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium?
2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium has a molecular weight of 1727.18 g/mol, XLogP of 7.39, 79 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(5-carboxypentyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methyl-5-oxidoperoxysulfanylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylperoxy]ethyl]-3-methylindole-5-sulfonate;ethene;triethylazanium is sourced from PubChem (CID 157157768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).