| CAS Number | 1072067-44-7 |
| 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 |
| 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 |
| MDL Number | MFCD31657504 |
| Molecular Formula | C40H36F10IrN4P |
| Molecular Weight | 985.9154 |
| SMILES | FC1=C[C-]2=C(C3=[N]([Ir+3]245([N]6=CC=C(C(C)(C)C)C=C6C7=[N]5C=CC(C(C)(C)C)=C7)[C-]8=C(C9=[N]4C=CC=C9)C(F)=CC(F)=C8)C=CC=C3)C(F)=C1.[F-][P+5]([F-])([F-])([F-])([F-])[F-] |
| Synonyms | 1072067-44-7,
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,
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| 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 |
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Certificate of Analysis
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