Our interests in this paper are the elucidation of structural and electronic properties of some pi-conjugated macrocycles composed of borazine and alumazene rings as well as the investigation of their potential utility for the creation of new nanotubes. Here, the calculations are performed at B3LYP/6-31+G (d) and M06-2X/6-31+G(d)//B3LYP/6-31+G(d) levels of theory. The results suggest that the self-assembly of the macrocyclic compounds can be considered to form new nanotubes through p-p stacking. Also, meaningful correlations are found between the stability and photoconductivity applications of the nanotubes and the number of stacked pi-conjugated macrocycles. (C) 2016 Elsevier B.V. All rights reserved.