Search for better photo sensitizers has always been a challenge in the field of dye sensitized solar cell (DSSC). This paper suggests a new method to identify a good dye for DSSC through the evaluation of energy levels of dye-TiO2 complex. The highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of the complex are evaluated using cyclic voltammetry (CV) and spectroscopic technique. These energy levels have been used to predict the performance of the solar cell even without fabricating a cell. The authenticity of this method is also revalidated through the correlation of efficiency of practical cell. Copyright (c) 2017 John Wiley & Sons, Ltd.