Novel topological properties and entropy measurements of zigzag hexagonal cycloarene structure

Topological indices are specific chemical descriptors discovered by using graph-theoretical methods, and they are extremely useful in connecting molecules with their physical characteristics. Cycloarenes, a subclass of polycyclic aromatic hydrocarbons, are made by arranging benzene rings in a circular manner. These molecules have received a lot of interest recently due to their unusual electrical characteristics and pore structure, which allow for their rapid practical application. In the current research, topological indices are used to investigate cycloarenes and certain of their oligomers. In this study, we develop analytical formulas of various R, S, Van indices of zigzag hexagonal cycloarene structure. Statistical techniques are also used to analyze the quantitative structure-property relationships of these compounds with different electrical and spectroscopic properties, and the relevance of these indices is then confirmed with supporting data. As an alternative to the conventional idea of thermodynamic entropy, we also give topological index-based Shannon's entropy calculation using the R, S, Van topological concept for the study.