Biphenyl ring-based liquid crystalline series (nXB) generally consists of an alkyl chain (CnH2n+1) and electronegative group (X) at terminals. These electronegative groups (X) include F, CN, NCS, etc, which possess high electron affinity (EA). In this communication, we use BO2 superhalogen, having higher EA than halogen, as a terminal group X and compare the various properties of 2XB for X = F, CN, NCS and BO2. The results of DFT calculations show that the geometric, electric, and electronic properties of BO2 substituted 2XB is quite similar to typical 2XB liquid crystalline molecule. Based on this, the BO2 substituted nXB molecules may be considered as a novel liquid crystalline series. The kinetic stability of this novel molecule was established by ab initio molecular dynamics simulations. Thus, our results predict not only a novel liquid crystalline molecule but also its feasibility at room temperature.