Home Other Building Blocks iridium(3+) ion bis(3,5-difluoro-2-(pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide

iridium(3+) ion bis(3,5-difluoro-2-(pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide

CAS No.:
1072067-44-7
Catalog Number:
AG01EIIB
Molecular Formula:
C40H36F10IrN4P
Molecular Weight:
985.9154
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Product Description
Catalog Number:
AG01EIIB
Chemical Name:
iridium(3+) ion bis(3,5-difluoro-2-(pyridin-2-yl)benzen-1-ide) 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine hexafluoro-lambda5-phosphanuide
CAS Number:
1072067-44-7
Molecular Formula:
C40H36F10IrN4P
Molecular Weight:
985.9154
MDL Number:
MFCD31657504
IUPAC Name:
4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;iridium(3+);hexafluorophosphate
InChI:
InChI=1S/C18H24N2.2C11H6F2N.F6P.Ir/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-7(2,3,4,5)6;/h7-12H,1-6H3;2*1-4,6-7H;;/q;3*-1;+3
InChI Key:
YTFMVASKFDAIDY-UHFFFAOYSA-N
SMILES:
F[P-](F)(F)(F)(F)F.CC(c1ccnc(c1)c1nccc(c1)C(C)(C)C)(C)C.Fc1c[c-]c(c(c1)F)c1ccccn1.Fc1c[c-]c(c(c1)F)c1ccccn1.[Ir+3]
Properties
Complexity:
656  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
986.215g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
985.931g/mol
Monoisotopic Mass:
986.215g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties