1-ethyl-2-[(1E,3Z)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium

Base Information

• Chemical Name: 1-ethyl-2-[(1E,3Z)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium
• CAS No.: 20187-38-6
• Molecular Formula: C25H25N2
• DSSTox Substance ID: DTXSID4048357
• ChEMBL ID: CHEMBL1433292

Synonyms:CHEBI:52877;CHEMBL1433292;DTXSID4048357;SCHEMBL12284820;20187-38-6;STL059189;AKOS005711570;1,1'-Diethyl-2,2'-quinocarbocyanine;BRD-K87107150-075-01-4;1-ethyl-2-[(1E,3Z)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium

Chemical Property of 1-ethyl-2-[(1E,3Z)-3-(1-ethylquinolin-2(1H)-ylidene)prop-1-en-1-yl]quinolinium

Chemical Property:

• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 353.201773806
• Heavy Atom Count: 27
• Complexity: 527

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MSDS Files:

Useful:

• Canonical SMILES: CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41
• Isomeric SMILES: CCN1/C(=C\C=C\C2=[N+](C3=CC=CC=C3C=C2)CC)/C=CC4=CC=CC=C41

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