Synonyms
1,3-Bis(2,6-di-i-propylphenyl)imidazol-2-ylidene(acetonitrile)gold(I) tetrafluoroborate, 95%;896733-61-2;
IUPAC Name
1,3-di(propan-2-yl)benzene-2-ide;(2E)-2-[3-[2,6-di(propan-2-yl)phenyl]-1H-imidazol-2-ylidene]acetonitrile;gold(1+);tetrafluoroborate;
Molecular Weight
712.414g/mol
Molecular Formula
C29H38AuBF4N3-;
Canonical SMILES
[B-](F)(F)(F)F.CC(C)C1=[C-]C(=CC=C1)C(C)C.CC(C)C1=C(C(=CC=C1)C(C)C)N2C=CNC2=CC#N.[Au+];
InChI
InChI=1S/C17H21N3.C12H17.Au.BF4/c1-12(2)14-6-5-7-15(13(3)4)17(14)20-11-10-19-16(20)8-9-18;1-9(2)11-6-5-7-12(8-11)10(3)4;;2-1(3,4)5/h5-8,10-13,19H,1-4H3;5-7,9-10H,1-4H3;;/q;-1;+1;-1/b16-8+;;;;
InChI Key
SUYOETKSMAJMIH-QPJJLOBJSA-N;
Complexity
658
Covalently-Bonded Unit Count
4
Defined Bond Stereocenter Count
1
Exact Mass
712.276g/mol
Formal Charge
-1
H-Bond Acceptor
9
H-Bond Donor
1
Heavy Atom Count
38
Monoisotopic Mass
712.276g/mol
Rotatable Bond Count
5
Topological Polar Surface Area
39.1A^2
