Truxene, a polycyclic compound characterized by its unique C3$$ {C}_3 $$ topology and rigid planar structure, has interesting applications in the electronic and optoelectronic field. π$$ \pi $$-conjugated dendrimers have several potential applications in electronic and optoelectronic devices such as organic field-effect transistors, solar cells, and electroluminescent devices. Star-shaped molecules possess well-defined molecular structures as well as superior chemical purity and exhibit properties of strong blue emission. Different distance-based topological indices are computed for gradient star persistent π$$ \pi $$-conjugated dendrimer. This work helps to determine various properties of the dendrimers with truxenes which have application in disparate fields. Also, the graphical presentation may help in the comparative study of various properties and characteristics of the structure. Through linear regression, the photovoltaic, and electrochemical properties are compared with the π$$ \pi $$-conjugated dendrimer parameters and received excellent correlation.

Abstract

The role of dendrimers is getting updated and grabbing immense attention in many fields. Dendrimers are used in a broad spectrum, in specific, it is widely utilized in drug delivery, for targeted carrier and specific action. Also, in drug catalysis, it improves the solubility of poorly soluble drugs and increases the stability of active ingredients within the cores. Many researchers are interested in developing new dendrimers by using various compounds. π$$ \pi $$-conjugated dendrimers via truxenes and thienylethynylene units, are considered a promising material in the field of medicinal chemistry, bio-organic, and environmental sciences. In QSAR/QSPR, the structural analysis of chemical compounds is examined by topological descriptors. In this article, the various distance-based topological indices such as Wiener, Szeged, and Mostar of gradient star-persistent π$$ \pi $$-conjugated dendrimers are determined. Since gradient star-persistent π$$ \pi $$-conjugated dendrimers have odd cycles, the usual cut method is not applicable, therefore we use a new concept, the quotient of quotient graph to determine the numerical expression of various indices. An analysis of linear regression reveals that degree-based topological descriptors predict better physicochemical properties.