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CHEBI:133488 - [(ppy)2Ir(mbpy-monoacid)]Cl

ChEBI IDCHEBI:133488
ChEBI Name[(ppy)2Ir(mbpy-monoacid)]Cl
Stars
Last Modified26 February 2024
SubmitterCeri
DownloadsMolfile
FormulaC34H26IrN4O2.Cl
Net Charge-1
Average Mass750.278
Monoisotopic Mass750.13790
SMILESCC1=CC=[N]2C(=C1)C1=CC(C(=O)O)=CC=[N]1[Ir]213([c]2ccccc2C2=CC=CC=[N]21)[c]1ccccc1C1=CC=CC=[N]13.[Cl-]
InChIInChI=1S/C12H10N2O2.2C11H8N.ClH.Ir/c1-8-2-4-13-10(6-8)11-7-9(12(15)16)3-5-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;/h2-7H,1H3,(H,15,16);2*1-6,8-9H;1H;/p-1
InChIKeyRWTPLZNSIDEMQA-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
probe  A role played by a molecular entity used to study the microscopic environment.
ChEBI Ontology
Outgoing Relation(s)
[(ppy)2Ir(mbpy-monoacid)]Cl (CHEBI:133488) has role probe (CHEBI:50406)
[(ppy)2Ir(mbpy-monoacid)]Cl (CHEBI:133488) is a carboxylic acid (CHEBI:33575)
Synonym  Source
Ir-CoohSUBMITTER
Citations