2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium

C102H177N6O31S+ — CID 159359203

IUPAC2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium
SMILESCC[NH+](CC)CC.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)C1CC=CC=CC1=[N+](CCCCCC(=O)NCCCCCN2C(=O)C=CC2=O)c2ccc(C)cc2C1(C)C
InChIInChI=1S/C96H161N5O31S.C6H15N/c1-83-23-25-87-85(81-83)95(2,3)89(99(87)31-16-8-13-21-91(102)97-29-15-10-18-33-101-93(104)27-28-94(101)105)19-11-7-12-20-90-96(4,5)86-82-84(133(106,107)108)24-26-88(86)100(90)32-17-9-14-22-92(103)98-30-34-110-37-38-112-41-42-114-45-46-116-49-50-118-53-54-120-57-58-122-61-62-124-65-66-126-69-70-128-73-74-130-77-78-132-80-79-131-76-75-129-72-71-127-68-67-125-64-63-123-60-59-121-56-55-119-52-51-117-48-47-115-44-43-113-40-39-111-36-35-109-6;1-4-7(5-2)6-3/h7,11-12,19,23-28,81-82,90H,8-10,13-18,20-22,29-80H2,1-6H3,(H2-,97,98,102,103,106,107,108);4-6H2,1-3H3/p+1
InChIKeyRTIJICCTXCJMIA-UHFFFAOYSA-O
MW2015.62 g/mol
LogP7.35
Rot. Bonds98

About 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium

2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium (PubChem CID 159359203) has the molecular formula C102H177N6O31S+ and a molecular weight of 2015.62 g/mol. Its IUPAC name is 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium.

Molecular Properties

Compound Name2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium
PubChem CID159359203
Molecular FormulaC102H177N6O31S+
Molecular Weight2015.62 g/mol
Exact Mass2014.22
IUPAC Name2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium
SMILESCC[NH+](CC)CC.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)C1CC=CC=CC1=[N+](CCCCCC(=O)NCCCCCN2C(=O)C=CC2=O)c2ccc(C)cc2C1(C)C
InChIInChI=1S/C96H161N5O31S.C6H15N/c1-83-23-25-87-85(81-83)95(2,3)89(99(87)31-16-8-13-21-91(102)97-29-15-10-18-33-101-93(104)27-28-94(101)105)19-11-7-12-20-90-96(4,5)86-82-84(133(106,107)108)24-26-88(86)100(90)32-17-9-14-22-92(103)98-30-34-110-37-38-112-41-42-114-45-46-116-49-50-118-53-54-120-57-58-122-61-62-124-65-66-126-69-70-128-73-74-130-77-78-132-80-79-131-76-75-129-72-71-127-68-67-125-64-63-123-60-59-121-56-55-119-52-51-117-48-47-115-44-43-113-40-39-111-36-35-109-6;1-4-7(5-2)6-3/h7,11-12,19,23-28,81-82,90H,8-10,13-18,20-22,29-80H2,1-6H3,(H2-,97,98,102,103,106,107,108);4-6H2,1-3H3/p+1
InChIKeyRTIJICCTXCJMIA-UHFFFAOYSA-O
XLogP7.35
TPSA384.99 Ų
H-Bond Donors3
H-Bond Acceptors32
Rotatable Bonds98
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002015.62
LogP ≤ 57.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium with MolForge

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Related Compounds

1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-2-[3-[1-[6-[2-(2-methoxyethoxy)ethylamino]-6-oxohexyl]-3,3,5-trimethylindol-2-ylidene]prop-1-enyl]-3,3-dimethylindol-1-ium-5-sulfonic acid
CID 89308946
2-[5-[1-[6-(2,5-dioxopyrrolidin-1-yl)oxy-6-oxohexyl]-3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,5-dimethylindol-2-ylidene]penta-1,3-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-5-sulfonate;methane;triethylazanium
CID 161083713
6-[2-[7-[1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3,5-trimethylindol-1-yl]hexanoic acid
CID 159836485
1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-2-[(E)-3-[1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-3,3-dimethylindole-5-sulfonic acid
CID 163285572
2-[3-[1-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
CID 164886380
6-[2-[5-[1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienylidene]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3-methyl-5-sulfoindol-3-yl]hexanoic acid
CID 161100445
(2E)-2-[(E)-3-[1-[6-[3-(2,5-dioxopyrrol-1-yl)propylamino]-6-oxohexyl]-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonic acid
CID 10259074
(2E)-2-[(E)-3-[1-[5-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-5-oxopentyl]-3,3-dimethylindol-1-ium-2-yl]prop-2-enylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
CID 10055120
(2Z)-2-[(2E,4E)-5-[9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3,7-trimethyl-1-(3-sulfopropyl)indeno[1,2-f]indol-1-ium-2-yl]penta-2,4-dienylidene]-1-hexyl-9-[3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-3,3-dimethyl-9-(3-oxobutyl)indeno[1,2-f]indole-7-sulfonate
CID 174098783
6-[3-butyl-2-[5-[1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-methyl-6,8-disulfobenzo[e]indol-1-yl]hexanoic acid
CID 134572891
1-(5-carboxypentyl)-3-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-2-[5-[3-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-1,1-dimethyl-6,8-disulfonatobenzo[e]indol-3-ium-2-yl]penta-2,4-dienylidene]-1-methylbenzo[e]indole-6,8-disulfonate
CID 159884917
(2E)-2-[(2E,4E,6E)-7-[1-[6-[2-[2-[2-[[(5S)-5-carboxy-5-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]pentyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]hepta-2,4,6-trienylidene]-1-ethyl-3,3-dimethylindole-5-sulfonate
CID 71505618

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium?
The IUPAC name of 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium (CID 159359203) is 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium.
What is the SMILES notation for 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium?
The canonical SMILES for 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium is CC[NH+](CC)CC.COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCN1c2ccc(S(=O)(=O)[O-])cc2C(C)(C)C1CC=CC=CC1=[N+](CCCCCC(=O)NCCCCCN2C(=O)C=CC2=O)c2ccc(C)cc2C1(C)C.
What is the InChIKey of 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium?
The InChIKey is RTIJICCTXCJMIA-UHFFFAOYSA-O. The full InChI is InChI=1S/C96H161N5O31S.C6H15N/c1-83-23-25-87-85(81-83)95(2,3)89(99(87)31-16-8-13-21-91(102)97-29-15-10-18-33-101-93(104)27-28-94(101)105)19-11-7-12-20-90-96(4,5)86-82-84(133(106,107)108)24-26-88(86)100(90)32-17-9-14-22-92(103)98-30-34-110-37-38-112-41-42-114-45-46-116-49-50-118-53-54-120-57-58-122-61-62-124-65-66-126-69-70-128-73-74-130-77-78-132-80-79-131-76-75-129-72-71-127-68-67-125-64-63-123-60-59-121-56-55-119-52-51-117-48-47-115-44-43-113-40-39-111-36-35-109-6;1-4-7(5-2)6-3/h7,11-12,19,23-28,81-82,90H,8-10,13-18,20-22,29-80H2,1-6H3,(H2-,97,98,102,103,106,107,108);4-6H2,1-3H3/p+1.
What are the key properties of 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium?
2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium has a molecular weight of 2015.62 g/mol, XLogP of 7.35, 98 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[6-[5-(2,5-dioxopyrrol-1-yl)pentylamino]-6-oxohexyl]-3,3,5-trimethylindol-1-ium-2-yl]penta-2,4-dienyl]-1-[6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]-3,3-dimethyl-2H-indole-5-sulfonate;triethylazanium is sourced from PubChem (CID 159359203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).