Tris[1-phenylisoquinoline-C2,N]iridium(III), 99%

• CAS: 435293-93-9
• Catalog Number: ACM435293939
• Category: Organic & Printed Electronics
• Molecular Weight: 804.973g/mol
• Molecular Formula: C45H30IrN3
• Synonyms: Ir(piq)3 (purified by sublimation); 435293-93-9; MFCD09842770; tris(2-(isoquinolin-1-yl)phenyl)iridium; Tris[1-phenylisoquinolinato-C2,N]iridium(III); Ir(piq)3, AldrichCPR
• IUPAC Name: iridium(3+);1-phenylisoquinoline
• Canonical SMILES: C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.C1=CC=C([C-]=C1)C2=NC=CC3=CC=CC=C32.[Ir+3]
• InChI: InChI=1S/3C15H10N.Ir/c3*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;/h3*1-7,9-11H;/q3*-1;+3
• InChI Key: NDBCGHNTWCYIIU-UHFFFAOYSA-N
• Application: suzuki reaction. Tris(1-phenylisoquinoline)iridium(III), Ir(piq)3 is a deep red phosphorescent dopant material.; ; Due to their high electron affinities, quinoline/isoquinoline-based compounds have received considerable attention in optoelectronic materials. With greater π-electronic conjugation in the isoquinoline ring, the energy of the lowest unoccupied molecular orbital (LUMO) is significantly lowered, and the energy gap is reduced.; ; Ir(piq)3, together with Ir(piq)2acac, are the ones that have been most studied in theisoquinoline iridium complex family. The 'piq' unit of the ligand part can partially suppress the triplet-triplet annihilation and show short phosphorescent lifetimes.
• Complexity: 1180
• Covalently-Bonded Unit Count: 4
• Exact Mass: 805.207g/mol
• H-Bond Acceptor: 6
• Heavy Atom Count: 49
• Monoisotopic Mass: 805.207g/mol
• Rotatable Bond Count: 3
• Topological Polar Surface Area: 38.7A^2