In recent years, there is an urgent need to discover synthesized anticancer drugs against drug resistance and tumor recurrence. Covalent Organic Frameworks (COFs) with different chemical constituents and functionalities have been attracted as a kind of crystalline porous polymeric materials for simultaneous cancer diagnosis and therapy purposes. The structural diversity and complexity of COFs were synthesized by various linkers including B–O covalent, imine, hydrazone, Schiff Base, triazine, azine, and β-KetoEnol. Synthesis strategies for preparing COFs including nanoparticles, thin films, and powder was introduced. COFs obtained from powder synthesis were prepared by thermoelectric, negative ion, microwave and sonochemical methods. COFs were utilized for drug delivery, photodynamic therapy (PDT), photothermal therapy (PTT), microwave thermal therapy, sonodynamic therapy, and combined therapy and combination remedy.