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iridium(3+) bis(3,5-difluoro-2-[5-(trifluoromethyl)pyridin-2-yl]benzen-1-ide) bipyridyl hexafluorophosphate

iridium(3+) bis(3,5-difluoro-2-[5-(trifluoromethyl)pyridin-2-yl]benzen-1-ide) bipyridyl hexafluorophosphate

Formula: C34H18F16IrN4P

SMILES: [Ir+3].F[P-](F)(F)(F)(F)F.C1=CC=C(N=C1)C1=CC=CC=N1.FC1=CC(F)=C([C-]=C1)C1=NC=C(C=C1)C(F)(F)F.FC1=CC(F)=C([C-]=C1)C1=NC=C(C=C1)C(F)(F)F

IUPAC: iridium(3+) 2,2'-bipyridine bis(3,5-difluoro-2-[5-(trifluoromethyl)pyridin-2-yl]benzen-1-ide) hexafluoro-??-phosphanuide

InChI: InChI=1S/2C12H5F5N.C10H8N2.F6P.Ir/c2*13-8-2-3-9(10(14)5-8)11-4-1-7(6-18-11)12(15,16)17;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-7(2,3,4,5)6;/h2*1-2,4-6H;1-8H;;/q2*-1;;-1;+3

Composition: C (40.44%), H (1.80%), F (30.11%), Ir (19.04%), N (5.55%), P (3.07%)

Molar Mass: 1009.711

Atom Count: 74

Heavy Atom Count: 56

Properties
Properties
Common Names N/A
Aromatic Ring Count 6
Asymmetric Atom Count 0
Exact Mass 1010.0642808
Formal Charge 0
FSP3 0.06
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZCNUFCYLERNPGN-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 54.94
Topological Polar Surface Area 12.89
Polarizability 20.62
Ring Count 6
Rotatable Bond Count 5

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Purity LeadTime Formula UnitPrice
98% <14 Days C34H18F16IrN4P Quote Only