![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/38465-86-0.gif)
Synonyms
(1Z,5Z)-Cycloocta-1,5-diene;iridium;methyl(diphenyl)phosphane;hexafluorophosphate
IUPAC Name
(1Z,5Z)-cycloocta-1,5-diene;iridium;methyl(diphenyl)phosphane;hexafluorophosphate;
Molecular Weight
845.8
Molecular Formula
C34H38F6IrP3
Canonical SMILES
CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.C1CC=CCCC=C1.F[P-](F)(F)(F)(F)F.[Ir]
InChI
InChI=1S/2C13H13P.C8H12.F6P.Ir/c2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-4-6-8-7-5-3-1;1-7(2,3,4,5)6;/h2*2-11H,1H3;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-;
InChI Key
MUHONFFTSOCMDH-JXNOXZOESA-N
Melting Point
224 °C
Purity
97%
Appearance
Powder
Complexity
272
Covalently-Bonded Unit Count
5
Defined Bond Stereocenter Count
2
Exact Mass
846.17198
Formal Charge
-1
H-Bond Acceptor
7
Heavy Atom Count
44
Isomeric SMILES
CP(C1=CC=CC=C1)C2=CC=CC=C2.CP(C1=CC=CC=C1)C2=CC=CC=C2.C1/C=C\CC/C=C\C1.F[P-](F)(F)(F)(F)F.[Ir]
Monoisotopic Mass
846.17198
Rotatable Bond Count
4
Topological Polar Surface Area
0 Ų
