Exploring the Metric Dimension of the Graph Representing a Four-Ring Polycyclic Aromatic Hydrocarbon: Interstellar 1-cyanopyrene

A graph's metric dimension is a parameter that denotes the minimum possible number of vertices in a subset that gives each vertex in the graph a unique representation. Despite extensive research on the metric dimension of polycyclic aromatic hydrocarbons (PAHs), there is currently no focused analysis on the metric basis and metric dimension of 1-cyanopyrene. In chemistry, graphs can be used to depict molecular structures. In this study, graph theory, specifically the concept of metric dimensions, is applied to the molecular structure of 1-cyanopyrene, which was detected in space for the first time in 2024. 1-cyanopyrene is a molecule made of four fused benzene rings with a cyano group (-CN) attached. It is one of the largest polycyclic aromatic hydrocarbons found in space. This study aims to determine the metric basis and its cardinality for the molecular graph of 1-cyanopyrene, which has not yet been established in the literature, using a program developed by the researchers. This study enhances understanding of the molecular behavior, spatial arrangements, atomic connectivity, and interactions of 1-cyanopyrene. This may provide additional information on the behavior and characteristics of other complex organic compounds in interstellar clouds and may also aid future researchers in this field. The outcomes of this study may be useful in fields such as chemistry, pharmaceuticals, and materials science, as well as in other fields where understanding molecular interactions is crucial.