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CHEBI:52818 - dilC18(3)(1+)

ChEBI IDCHEBI:52818
ChEBI NamedilC18(3)(1+)
Stars
DefinitionThe cationic form of a C3 cyanine dye having 3,3-dimethyl-1-octadecylindoleinine units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC59H97N2
Net Charge+1
Average Mass834.439
Monoisotopic Mass833.76463
SMILES[H]C(=C([H])C1=[N+](CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C)C([H])=C1N(CCCCCCCCCCCCCCCCCC)c2ccccc2C1(C)C
InChIInChI=1S/C59H97N2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-50-60-54-46-39-37-44-52(54)58(3,4)56(60)48-43-49-57-59(5,6)53-45-38-40-47-55(53)61(57)51-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h37-40,43-49H,7-36,41-42,50-51H2,1-6H3/q+1
InChIKeyIJRJBQGVWNVZSA-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
dilC18(3)(1+) (CHEBI:52818) has role fluorochrome (CHEBI:51217)
dilC18(3)(1+) (CHEBI:52818) is a Cy5 dye (CHEBI:37989)
dilC18(3)(1+) (CHEBI:52818) is a indolium ion (CHEBI:52840)
Incoming Relation(s)
dilC18(3) dye (CHEBI:52029) has part dilC18(3)(1+) (CHEBI:52818)
IUPAC Name 
2-[3-(3,3-dimethyl-1-octadecyl-1,3-dihydro-2H-indol-2-ylidene)prop-1-en-1-yl]-3,3-dimethyl-1-octadecyl-3H-indolium
Synonyms  Source
3,3'-DioctadecylindocarbocyanineChemIDplus
1,1'-Dioctadecyl-3,3,3',3'-tetramethylindocarbocyanineChemIDplus
2-(3-(1,3-Dihydro-3,3-dimethyl-1-octadecyl-2H-indol-2-ylidene)-1-propenyl)-3,3-dimethyl-1-octadecyl-3H-indoliumChemIDplus
1,1'-DoticChemIDplus
Registry NumbersSources
CAS:40957-95-7ChemIDplus