Synthesis of novel metal-free fluorene and imidazole pyridine spacer based organic dye with –CN (cyano), -C=O (carboxyl), -NO2 (nitro) as acceptors (anchoring group) and diphenylamine as electron donor part for dye-sensitized solar cells. Time dependent density functional theory (TDDFT) theoretical investigation was carried out to explain the characteristic feature of the dye, photophysical property (UV-Vis absorption) and electrochemical property (Cyclic Voltammetry) was done as an evidence to check the influence of electron donor, electron acceptor part on dye and these calculation shows that these dyes could prove to be efficient in solar cell