The current research presents a novel third-order nonlinear optical single crystal named diisopropylammonium succinate by slow evaporation solution growth technique. Single-crystal X-ray diffraction and nuclear magnetic resonance techniques are utilized to validate the synthesis and formation of the titled crystal. The grown crystal belongs to monoclinic crystal system with space group P21/n, and its lattice parameters are found to be a = 8.3660 A, b = 11.4818 A, c = 13.5239 A and β = 98.3810°. 1H NMR and 13C NMR revealed the hydrogen bonds present within the molecules of crystal. The 3D visualization of intermolecular interactions was understood by the color contour of Hirshfeld surface of the grown crystal. UV–Vis and photoluminescence spectroscopic techniques are employed to understand the linear optical behavior of the reported crystal. The thermal stability of the material is facilitated by thermogravimetric analysis and differential thermal analysis. The titled crystal is found to be stable up to 140 °C. The third-order nonlinear optical behavior is determined using the z-scan technique.