Cycloarenes are a particular category of polycyclic aromatic hydrocarbons that have intrigued the experimental world for decades owing to the distinctiveness of their atomic and electrical configurations. They are suitable venues for investigating fundamental problems of aromaticity, particularly those involving the π-electron distribution in complex aromatic structures. Cycloarenes have recently attracted much attention due to their distribution as analogs for graphene pores. Kekulene is the member of this family that has been studied the most. For decades, its electrical structure has been a source of contention. It’s a doughnut-shaped chemical structure of circularly stacked benzene rings with interesting structural characteristics that lend themselves to experimental investigations like π-electron conjugation circuits. To predict their properties, topological characterization of such structures is required. This paper discusses two new series of big polycyclic compounds made by tessellating many kekulene doughnuts to make a hypothetical molecular belt with multiple cavities

For a long time, the structure and characteristics of benzene and other arenes have piqued researchers curiosity in quantum chemistry. The structural features of polycyclic aromatic compounds, like the fundamental molecular topology, have a strong influence on their chemical and biological properties. Quantitative structure-activity and property relationship (QSAR/QSPR) techniques for predicting characteristics of polycyclic aromatic compounds (PAC) and related graphs from chemical structures have been developed in this approach. To obtain degree-based topological indices, we have many polynomials. The neighbourhood M-polynomial is one of these polynomials, which is used to produce a number of topological indices based on neighborhood degree sum. In this study, we offer the exact analytical expressions of neighborhood M-polynomial and their corresponding topological indices for supercoronene (SC), cove-hexabenzocoronene (cHBC), and triangular-shaped discotic graphene (TDG) with hexabenzocorenene (HBC) as the base molecule. The findings could help with the development of physicochemical characteristic prediction.