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
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