| CAS Number | 75777-87-6 |
| Catalog Number | AG00ICO3(AGN-PC-0U8926) |
| Chemical Name | Ruthenium(2+), tris[4,4'-bis(1,1-dimethylethyl)-2,2'-bipyridine-kN1,kN1']-,(OC-6-11)-, bis[hexafluorophosphate(1-)] |
| IUPAC Name | 4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;ruthenium(3+);dihexafluorophosphate |
| InChI | InChI=1S/3C18H24N2.2F6P.Ru/c3*1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;2*1-7(2,3,4,5)6;/h3*7-12H,1-6H3;;;/q;;;2*-1;+3 |
| InChI Key | RNKRIYNRQYHSLF-UHFFFAOYSA-N |
| MDL Number | MFCD12022556 |
| Molecular Formula | C54H72F12N6P2Ru |
| Molecular Weight | 1196.1880 |
| SMILES | [F-][P+5]([F-])([F-])([F-])([F-])[F-].CC(C)(C)C1=CC=[N]2C(C3=[N]([Ru+2]245([N]6=CC=C(C(C)(C)C)C=C6C7=[N]5C=CC(C(C)(C)C)=C7)[N]8=CC=C(C(C)(C)C)C=C8C9=[N]4C=CC(C(C)(C)C)=C9)C=CC(C(C)(C)C)=C3)=C1.[F-][P+5]([F-])([F-])([F-])([F-])[F-] |
| Synonyms | 75777-87-6,
Tris[4,4'-di-tert-butyl-(2,2')-bipyridine]ruthenium(III) dihexafluorophosphate,
AKOS030632910,
KS-00000U19,
AK601681,
4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;ruthenium(3+);dihexafluorophosphate,
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| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1196.415g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 75 |
| Hydrogen Bond Acceptor Count | 20 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1196.21g/mol |
| Monoisotopic Mass | 1196.415g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 77.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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