Abstract
Phthalocyanine derivative nanostructures are highly organized organometallic structures that exhibit two-dimensional polymeric phthalocyanine frameworks. These conjugated macrocycles, characterized by their versatility, have gained significant attention in the development of technologies due to their structural resemblance to naturally occurring porphyrin complexes. The growth of these structures is analyzed to explore their topological characteristics by employing connectivity-based bond additive descriptors. The generated results are utilized in conjunction with the selected samples from Chem3D software to establish predictive models for calculating logP, logS, polar surface area, and total energy. Moreover, the structural complexity of these frameworks is compared through classical, spectral, and topological index based entropies, with the identification of the advantages and disadvantages associated with each of the three approaches.
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