The application of graphyne for a single-electron transistor (SET) that is operating in the Coulomb blockade regime is investigated in the first principles framework. Density functional theory modeling for graphyne has been used and the device environment has been described by a continuum model. The interaction between graphyne and the SET environment is treated with self-consistent Poisson equations. The charging energy as a function of gate voltage thus calculated has been used to obtain the charge stability diagram for the present system. The effect of electrode separation and the position of the molecule with respect to the dielectric on the gate coupling have been studied further. As compared with the previously studied systems on this line, graphyne has been observed to provide the gate coupling that is nearly close to that of benzene and graphene, but significantly greater than fullerene-based systems. © 2014 World Scientific Publishing Company.