![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/435293-93-9.gif)
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;
Molecular Weight
804.973g/mol
Molecular Formula
C45H30IrN3;
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;
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
