Abstract This paper examines the possibility of columnar mesophase (CM) predictions in a new series of porphin derivatives: polysubstituted phthalocyanines (I) and porphyrins (II, III). In order to reveal discogens, we have calculated the molecular parameters K, K c, K s, K p, M m, and M r for 85 molecules, including compounds with few peripheral substituents. Introduction of a new electronic parameter, K e, defining the electron density distribution ...
