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CHEBI:52862 - 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine

ChEBI IDCHEBI:52862
ChEBI Name1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine
Stars
DefinitionThe cationic form of a C3 cyanine dye having 1,3-diethyl-5,6-dichloroindoleinine units at each end.
Last Modified29 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC25H27Cl4N4
Net Charge+1
Average Mass525.331
Monoisotopic Mass523.09843
SMILES[H]C(=CC([H])=C1N(CC)c2cc(Cl)c(Cl)cc2N1CC)c1n(CC)c2cc(Cl)c(Cl)cc2[n+]1CC
InChIInChI=1S/C25H27Cl4N4/c1-5-30-20-12-16(26)17(27)13-21(20)31(6-2)24(30)10-9-11-25-32(7-3)22-14-18(28)19(29)15-23(22)33(25)8-4/h9-15H,5-8H2,1-4H3/q+1
InChIKeyXKWQNWOHLZAFPS-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine (CHEBI:52862) has role fluorochrome (CHEBI:51217)
1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine (CHEBI:52862) is a cyanine dye (CHEBI:37960)
1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine (CHEBI:52862) is a indolium ion (CHEBI:52840)
Incoming Relation(s)
1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine iodide (CHEBI:52097) has part 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine (CHEBI:52862)
IUPAC Name 
5,6-dichloro-2-[3-(5,6-dichloro-1,3-diethyl-1,3-dihydro-2H-benzimidazol-2-ylidene)prop-1-en-1-yl]-1,3-diethyl-1H-3,1-benzimidazol-3-ium
Synonym  Source
5,5',6,6'-Tetrachloro-1,1',3,3'-tetraethylbenzimidazolocarbocyanineChemIDplus
Registry NumbersSources
CAS:21527-78-6ChemIDplus