STAR-SHAPED COMPOUNDS WITH OXADIAZOL FRAGMENTS. II. INFLUENCE OF POLYCATENAR COMPOUND STRUCTURE ON ABILITY OF COLUMNAR MESOMORPHISM FORMATION BY PREDICTION DATA
The prediction of columnar mesomorphism of 42 known and 132 new structures of polycatenar gallic acid derivatives with oxadiazole fragments and their analogues was performed. The applicability of the ChemCard CMP software for predicting mesomorphism characteristic of discotic mesogens as applied to known polycatenar structures that exhibit columnar mesophases is confirmed by the convergence of the calculation results with experimental data (within 65 %). Analysis of a new polycatenar series revealed 35 compounds with a possible manifestation of columnar mesomorphism and another 15 with latent mesomorphism. According to the prediction, hexacatenar compounds with aliphatic substituents having 10 or more carbon atoms are the most promising for the formation of columnar mesophases.