1-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethenyl)quinolin-1-ium iodide

Base Information

• Chemical Name: 1-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethenyl)quinolin-1-ium iodide
• CAS No.: 70446-28-5
• Molecular Formula: C33H35IN2O
• Molecular Weight: 602.55
• DSSTox Substance ID: DTXSID10698093
• Mol file: 70446-28-5.mol

Synonyms:70446-28-5;DTXSID10698093;AKOS000814226;1-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethenyl)quinolin-1-ium iodide;1-ETHYL-2-[(E)-2-(3-((E)-2-[1-ETHYL-2(1H)-QUINOLINYLIDENE]ETHYLIDENE)-2-METHOXY-1-CYCLOHEXEN-1-YL)ETHENYL]QUINOLINIUM IODIDE

Chemical Property of 1-Ethyl-2-(2-{3-[2-(1-ethylquinolin-2(1H)-ylidene)ethylidene]-2-methoxycyclohex-1-en-1-yl}ethenyl)quinolin-1-ium iodide

Chemical Property:

• PSA: 18.04000
• LogP: 3.91160
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 602.17941
• Heavy Atom Count: 37
• Complexity: 843

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C(=CC=C2CCCC(=C2OC)C=CC3=[N+](C4=CC=CC=C4C=C3)CC)C=CC5=CC=CC=C51.[I-]
• Isomeric SMILES: CCN1/C(=C/C=C/2\CCCC(=C2OC)/C=C/C3=[N+](C4=CC=CC=C4C=C3)CC)/C=CC5=CC=CC=C51.[I-]

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