Self-assembled supramolecular structures formed by disc-shaped molecules have attracted tremendous attention during the past decade due to one-dimensional charge migration properties. Since the discovery of discotic liquid crystals, they have been studied to be used in various optoelectronic devices. Discotic mesogen molecules are in high demand to increase the efficiency of optoelectronic devices. Our interest mainly focuses on designing, synthesizing, and studying the structure-property relationships and mesophase behavior of new discotic liquid crystals (DLCs). This talk will discuss the detailed synthesis of new molecular materials for discotic liquid crystals using different core moieties such as rubicene, pyrene, cyanostar, and heptazine. The self-assembly and photophysical properties of these mesogens were studied using various instrumental techniques. Apart from the new discotic cores, we have synthesized the carboxylic acid functionalized dendrimers using click chemistry. They were found to form a stable hydrogen-bonded complex with benzotri(imidazole)derivatives. The hydrogen bonding was confirmed using IR, NMR, and their self-assembly, as well as mesomorphic behavior, has been studied. These studies pave the way for developing stimuli-responsive materials and organic electronics using novel discotic liquid crystals and functional materials.