Abstract Conjugated asymmetric donor-substituted 1, 3, 5-triazines (ADTs) have been synthesized by nucleophilic substitution of organolithium catalyzed by [Pd (PPh 3) 4]. Theoretical and experimental investigations show that ADTs possess high solubility and thermostability, high fluorescent quantum yield (35%), low HOMO (− 6.0 eV) and LUMO (− 2.8 eV), and high triplet energy (ET, 3.0 eV) according to the different substitution pattern ...