Synonyms
MFCD29037182;Chlorotricarbonyl(4,4'-di-t-butyl-2,2'-bipyridine)rhenium(I);165612-19-1;
IUPAC Name
4-tert-butyl-2-(4-tert-butylpyridin-2-yl)pyridine;carbon monoxide;chlororhenium;
Molecular Weight
574.091g/mol
Molecular Formula
C21H24ClN2O3Re;
Canonical SMILES
CC(C)(C)C1=CC(=NC=C1)C2=NC=CC(=C2)C(C)(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].Cl[Re];
InChI
InChI=1S/C18H24N2.3CO.ClH.Re/c1-17(2,3)13-7-9-19-15(11-13)16-12-14(8-10-20-16)18(4,5)6;3*1-2;;/h7-12H,1-6H3;;;;1H;/q;;;;;+1/p-1;
InChI Key
NVKZHMBAFXROBZ-UHFFFAOYSA-M;
Complexity
422
Covalently-Bonded Unit Count
5
Exact Mass
574.103g/mol
H-Bond Acceptor
5
Heavy Atom Count
28
Monoisotopic Mass
574.103g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
28.8A^2
