Distance Based Structural Descriptors of Non-conjugated Ethylene Oxide Dendritic Core Decorated with Tetraphenylethylene

Abstract

Topological descriptors have drawn more interest recently because of the simplicity of generation and quick evaluation times, by avoiding time-consuming laboratory experiments. The distance based descriptors stand out as being pivotal in the QSAR and QSPR analysis of physico-chemical aspects. Dendrimers are branching polymeric molecules distinguished by its systematic growth pattern. Non-conjugated Ethylene oxide dendritic core attached with tetraphenylethylene is one such hyper branched polymer with strong solubility in a majority of organic solvents making them an active constituent for a variety of experimental purposes. No significant amount of research has been carried over based on the topological aspects of this dendrimer. This study effectively establishes the correlation between the chemical and physical attributes of the structure which can further aid in experimental research. In this work, various fundamental distance based descriptors of Ethylene oxide cored dendrimer have been evaluated by converting the original graph to quotient graphs using Djokovic̀-Winkler relation. Moreover, a graphical comparison of these descriptors has also been plotted to help comprehend the growth trend of these numerical values.