EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52813 - C7-indocyanine cation

ChEBI IDCHEBI:52813
ChEBI NameC7-indocyanine cation
Stars
DefinitionThe cationic form of a C7 cyanine dye having 1-ethyl-3,3-dimethylindoleinine units at each end.
Last Modified28 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC31H37N2
Net Charge+1
Average Mass437.651
Monoisotopic Mass437.29513
SMILES[H]C(=CC([H])=CC([H])=C1N(CC)c2ccccc2C1(C)C)C=C([H])C1=[N+](CC)c2ccccc2C1(C)C
InChIInChI=1S/C31H37N2/c1-7-32-26-20-16-14-18-24(26)30(3,4)28(32)22-12-10-9-11-13-23-29-31(5,6)25-19-15-17-21-27(25)33(29)8-2/h9-23H,7-8H2,1-6H3/q+1
InChIKeyYHNWVIARBYOXLM-UHFFFAOYSA-N
Roles Classification
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
dye 
ChEBI Ontology
Outgoing Relation(s)
C7-indocyanine cation (CHEBI:52813) has role fluorochrome (CHEBI:51217)
C7-indocyanine cation (CHEBI:52813) is a cyanine dye (CHEBI:37960)
C7-indocyanine cation (CHEBI:52813) is a indolium ion (CHEBI:52840)
Incoming Relation(s)
C7-indocyanine (CHEBI:51901) has part C7-indocyanine cation (CHEBI:52813)
IUPAC Name 
1-ethyl-2-[7-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-3H-indolium