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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1,1',3,3'-tetraethyl-5,5',6,6'-tetrachloroimidacarbocyanine ChEBI ID CHEBI:52862 Definition The cationic form of a C3 cyanine dye having 1,3-diethyl-5,6-dichloroindoleinine units at each end. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C25H27Cl4N4 Net Charge +1 Average Mass 525.32100 Monoisotopic Mass 523.09843 InChI InChI=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 InChIKey XKWQNWOHLZAFPS-UHFFFAOYSA-N SMILES [H]C(=CC([H])=C1N(CC)c2cc(Cl)c(Cl)cc2N1CC)c1n(CC)c2cc(Cl)c(Cl)cc2[n+]1CC Roles Classification Application(s): fluorochrome A fluorescent dye used to stain biological specimens. dye (via cyanine dye ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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'-tetraethylbenzimidazolocarbocyanine ChemIDplus Registry Number Type Source 21527-78-6 CAS Registry Number ChemIDplus Last Modified 29 July 2009