have demonstrated that various triangle-shaped π-conjugated molecules (also known as triangulenes) adorned with nitrogen atoms exhibit a negative ∆E ST , thereby defying Hund's multiplicity rule. In these systems, the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) have minimal overlap. As a result, the lowest excited state predominantly exhibits a multi-resonant charge-transfer (MR-CT) character, with the electronic charge transferring from HOMO to LUMO. Under these conditions, the exchange integral, which is responsible for the singlet-triplet (ST) splitting, is very small, and the typically small spin polarization correction can become significant enough to reverse the ST gap. Recently, considerable effort has focused on integrating boron and nitrogen atoms into the core of triangulenes to achieve novel photophysical properties. MR-CT chromophores are fascinating for multiple reasons. Even in systems where the singlet and triplet states follow the conventional order, the small ∆E ST allows for thermal population of the S 1 state from the T 1 state. Accordingly, MR-CT emitters are being extensively studied as systems showing thermally activated delayed fluorescence (TADF). The exceptionally narrow and minimally solvatochromic emission spectra coming from the dye structural rigidity and reduced polarity of the MR-CT excited state, make them particularly appealing for organic light-emitting diodes (OLED). In this work, we will theoretically investigate the singlet-triplet (ST) inversion in some triangular boron carbon nitrides as efficient molecular structures in electron-transport materials for OLED applications.