CHEBI:52749 - Ir(Cs)2(acac)

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ChEBI Name Ir(Cs)2(acac)
ChEBI ID CHEBI:52749
ChEBI ASCII Name Ir(Cs)2(acac)
Definition An iridium coordination entity composed of iridium(III) coordinated to an acetoacetonate and two 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-2H-chromen-2-one units.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C45H41IrN4O6S2
Net Charge 0
Average Mass 990.17700
Monoisotopic Mass 990.20968
SMILES CCN(CC)c1ccc2c([Ir](O\C(C)=C/C(C)=O)c3c(-c4[nH]c5ccccc5s4)c(=O)oc4cc(ccc34)N(CC)CC)c(-c3[nH]c4ccccc4s3)c(=O)oc2c1
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing Ir(Cs)2(acac) (CHEBI:52749) has role fluorochrome (CHEBI:51217)
Ir(Cs)2(acac) (CHEBI:52749) is a iridium coordination entity (CHEBI:52667)
Ir(Cs)2(acac) (CHEBI:52749) is a organoiridium compound (CHEBI:52647)
IUPAC Name
bis[3-(1,3-benzothiazol-2-yl-κN)-7-(diethylamino)-2-oxo-2H-chromen-4-yl-κC4][4-(hydroxy-κO)pent-3-en-2-onato-κO]iridium
Last Modified
14 July 2009