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The molecular topology and the chemical structures which are not regular perform a dominant character in designing the compound in connection with their physical and chemical properties. The study of topological descriptors of molecular structures is widely used in the field of cheminformatics, information technology, biomedical science, and many more. Numerous topological indices have been evolved in the theory of chemistry. Graphs which are not regular can be specified using irregular measures. In this article, we find some irregularity indices, which are useful in Quantitative structure activity relationship for benzenoid structures. Based on the exact analytic expressions, the numerical and graphical comparison for benzenoid structures is also provided.

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Metal-organic frameworks explicit the consequence of these frameworks with adjustable implementations, namely, energy storage gadgets of magnificent electrode materials, gas store, heterogeneous catalysis, environmental hazard, estimation of chemicals, recognizing of definite gases, controlling solids, and supercapacitors. In this paper, we give explicit expression of the reverse general Randic index, the reverse atom bond connectivity index, the reverse geometric arithmetic index, the reverse forgotten index, the reverse Balaban index, the reverse augmented index, and different types of reverse Zagreb indices of the metal-organic framework M1TPyP-M2 (TPyP = 5, 10, 15, 20-tetrakis (4-pyridyl) porphyrin and M1, M2 = Fe and Co). A graphical comparison of the calculated different types of the reverse degree based topological indices with the aid of the numerical values is also included.