Replacing C-C units with B-N groups in pure carbon cluster will prompt electron transfer or rearrangement due to disrupting molecular symmetry, thus affecting the optoelectronic properties of the system. Recent studies on the second-order NLO properties of carbon nanoribbons, nanographene, and nanotubes have shown that B-N doped carbon materials exhibit superior optical properties compared to pure carbon clusters. By adjusting the doping mode of B-N fragment, the electronic structure of the system can be further changed, thereby regulating its NLO response. In 2019, Pichierri replaced the C-C units of the C18 with B-N groups and observed that this substitution positively altered the optical activity of the molecular ring. Inspired by this research, Ngui et al. broke the symmetry of cyclo[2n]carbon (n = 5-12) by functionalizing the molecules with one B-N unit and found that these hybrid molecules exhibit high performance in both linear and nonlinear optics, potentially offering promising applications for electronics and optoelectronics.