Synonyms
[(ppy)2IrCl]2;92220-65-0;MFCD28144567;Di-ae-chlorotetrakis[2-(2-pyridinyl-kN)phenyl-kC]diiridium(III);603109-48-4;
IUPAC Name
chloroiridium(2+);2-phenylpyridine;
Molecular Weight
1072.102g/mol
Molecular Formula
C44H32Cl2Ir2N4;
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.C1=CC=C([C-]=C1)C2=CC=CC=N2.Cl[Ir+2].Cl[Ir+2];
InChI
InChI=1S/4C11H8N.2ClH.2Ir/c4*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h4*1-6,8-9H;2*1H;;/q4*-1;;;2*+3/p-2;
InChI Key
LCEYXICNCJSAHX-UHFFFAOYSA-L;
Complexity
535
Covalently-Bonded Unit Count
6
Exact Mass
1070.124g/mol
H-Bond Acceptor
8
Heavy Atom Count
52
Monoisotopic Mass
1072.126g/mol
Rotatable Bond Count
4
Topological Polar Surface Area
51.6A^2
