EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52748 - Ir(Cn)2(acac)

ChEBI IDCHEBI:52748
ChEBI NameIr(Cn)2(acac)
Stars
ASCII NameIr(Cn)2(acac)
DefinitionAn iridium coordination entity composed of iridium(III) coordinated to an acetoacetonate and two 7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl)-2H-chromen-2-one units.
Last Modified14 July 2009
SubmitterSteve
DownloadsMolfile
FormulaC47H47IrN6O6
Net Charge0
Average Mass984.146
Monoisotopic Mass984.31863
SMILESCCN(CC)c1ccc2[c]3[Ir]45([O]/C(C)=C\C(C)=[O]->4)([c]4c(-c6n(C)c7ccccc7[n]->56)c(=O)oc5cc(N(CC)CC)ccc45)<-[n]4c(-c3c(=O)oc2c1)n(C)c1ccccc14
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
Ir(Cn)2(acac) (CHEBI:52748) has role fluorochrome (CHEBI:51217)
Ir(Cn)2(acac) (CHEBI:52748) is a iridium coordination entity (CHEBI:52667)
Ir(Cn)2(acac) (CHEBI:52748) is a organoiridium compound (CHEBI:52647)
IUPAC Name 
bis[7-(diethylamino)-3-(1-methyl-1H-benzimidazol-2-yl-κN3)-2-oxo-2H-chromen-4-yl-κC4][4-(hydroxy-κO)pent-3-en-2-onato-κO]iridium