Mesoporous materials, due to their unique textural and structural features and successful applications in different scientific areas, engrossed our curiosity to form a mesoporous nanostructure. A facile method for the formation of nickel ferrite immobilized over B,N,F tridoped mesoporous cerium oxide (CeO2) nanostructures (NFTDNC) was designed and communicated in this report. It was characterized by thermogravimetric analysis (TGA), X-ray photoelectron spectroscopy (XPS), powder X-ray diffraction study (PXRD), scanning transmission electron microscopy (STEM), high-resolution transmission electron microscopy (HR-TEM), field emission gun-scanning electron microscopy (FE-SEM), vibrating sample magnetometry (VSM), photoluminescence (PL), Brunauer-Emmett-Teller (BET), energy dispersive X-ray analysis (EDX) and elemental mapping, UV-visible spectroscopy (UV-VIS) and Fourier transform infrared spectroscopy (FT-IR). The applications of the mesoporous nanomaterial (NFTDNC) as an adaptable heterogeneous nanocatalyst and as a phenomenal adsorbent for methyl orange (MO) dye were established. It catalyzed the formation of pyrazolopyranopyrimidine and 1H-pyrazolo[1,2-b]phthalazine-5,10-diones derivatives for the five runs. The recycled catalyst exhibited agglomeration in structural features confirmed by PXRD and HR-TEM studies. NFTDNC as an adsorbent fitted the Freundlich isotherm for the adsorption of MO dye. Moreover, it followed the linear pseudo-second-order kinetics rate equation (R2 ≥ 0.98914). MO was adsorbed completely in 60 min with the NFTDNC mesoporous nanostructure.