Tris(2-phenylpyridine)iridium

Catalog Number	ACM94928866-7
CAS	94928-86-6
Structure
Synonyms	Iridium;2-phenylpyridine
IUPAC Name	iridium;2-phenylpyridine
Molecular Weight	657.8
Molecular Formula	C33H27IrN3
Canonical SMILES	C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.C1=CC=C(C=C1)C2=CC=CC=N2.[Ir]
InChI	InChI=1S/3C11H9N.Ir/c3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h3*1-9H;
InChI Key	UEEXRMUCXBPYOV-UHFFFAOYSA-N
Melting Point	328 °C
Purity	99%
Appearance	Powder
Application	Tris(2-phenylpyridine)iridium is a versatile compound with multiple applications in both catalysis and display technology. As a photoredox catalyst, it plays a critical role in synthesizing diverse chemical compounds, including fused-quinoxaline derivatives and difluorinated ketones, and is instrumental in photocatalytic processes such as trifluoromethylation of alkenes, arylation of thiols, and reduction of aryl iodides. Additionally, it shows potential in medical applications for developing metal-containing nucleosides with therapeutic and diagnostic benefits against cancer. In the field of biology, it aids in controlling behavior in Drosophila larvae expressing ChR2. Beyond these applications, Tris(2-phenylpyridine)iridium is renowned for its use in organic light-emitting diodes (OLEDs), where its high quantum yields and thermal stability make it an exemplary green-triplet emitter, providing bright phosphorescence with near-perfect quantum efficiency.
Complexity	127
Covalently-Bonded Unit Count	4
Exact Mass	658.18342
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Monoisotopic Mass	658.18342
Rotatable Bond Count	3
Topological Polar Surface Area	38.7 Ų