| CAS Number | 864163-80-4 |
| Catalog Number | AG00IMDC(AGN-PC-0WQUK4) |
| Chemical Name | (2,2'-Bipyridine)Bis[2-(2,4-Difluorophenyl)Pyridine]Iridium(Iii) Hexafluorophosphate |
| IUPAC Name | 2-(2,4-difluorophenyl)pyridine;iridium(3+);2-pyridin-2-ylpyridine;trihexafluorophosphate |
| InChI | InChI=1S/2C11H7F2N.C10H8N2.3F6P.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-7(2,3,4,5)6;/h2*1-7H;1-8H;;;;/q;;;3*-1;+3 |
| InChI Key | MCXLALBHPRPNHD-UHFFFAOYSA-N |
| MDL Number | MFCD29472513 |
| Molecular Formula | C32H20F10IrN4P |
| Molecular Weight | 873.7028 |
| SMILES | FC(C=C(F)C=C12)=C1C3=CC=CC=[N]3[Ir+]452([N]6=CC=CC=C6C7=[N]5C=CC=C7)[N]8=CC=CC=C8C9=C4C=C(F)C=C9F.F[P-](F)(F)(F)(F)F |
| Synonyms | 864163-80-4,
(2,2-Bipyridine)bis[2-(2,4-difluorophenyl)pyridine]iridium(III) Hexafluorophosphate,
(2,2'-Bipyridine)bis[2-(2,4-difluorophenyl)pyridine]iridium(III) hexafluorophosphate,
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| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 7 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1166.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 62 |
| Hydrogen Bond Acceptor Count | 29 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1165.659g/mol |
| Monoisotopic Mass | 1166.034g/mol |
| Rotatable Bond Count | 3 |
| 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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