Novel binuclear platinum(II) complexes driven by C^N cyclometalated ligands with the general formula [Pt2(C^N)2Cl2(µ-L)], where C^N = 2-phenylpyridine (ppyH) or 2-(2,4-difluorophenyl) pyridine (dfppyH) and L = 1,1'-bis(diphenylphosphino)ferrocene (dppf), 1,1'- bis(diisopropylphosphino)ferrocene (dippf), and 1,1'-bis(dicyclohexylphosphino)ferrocene (dcpf), have been designed, synthesized, and characterized. Single crystal X-ray analysis confirmed the molecular structures of complexes. The electronic absorption spectra of these Pt(II) complexes are examined, and density functional theory (DFT) and time-dependent DFT (TD-DFT) were employed for geometry optimization as well as the electronic structure computations, respectively. To evaluate the potential of these complexes as anticancer agents, the biological activities including cytotoxic activity, DNA interaction and molecular docking was accomplished. The cytotoxic activity of prepared complexes was assessed against A549, HeLa, and MCF-7 tumor cell lines by MTT assay. The results demonstrated that 2c and 3c had reasonable cytotoxic activities, while other complexes revealed less cytotoxic activities. In comparison to cisplatin, 3c showed significantly higher cytotoxicity against A549 cells. Additionally, the SAR results established that dfppy ligand, which is containing fluorine atoms improved the cytotoxic activity of these complexes. To understand the antiproliferative mechanism of 3c, analyses of DNA damage (comet assay) and apoptosis were carried out. In addition to this, the detection of cellular reactive oxygen species (ROS) was evaluated. Moreover, molecular docking simulations suggested reasonable interactions between these complexes and DNA. This study suggests that metal-based drug design can be developed utilizing the scaffold of 3c as a valuable anticancer agent.