In this work, we compute the first and second K Banhatti of some important molecular structures of dendrimers and nanotubes from mathematical standpoint. In addition, the first and second K hyer-Banhatti indices of some important molecular structures from mathematical standpoint. Moreover, we also compute harmonic Banhatti index of under study molecular compounds. Moreover, we compute multiplicative inversion of above stated molecular descriptors. The formulations we obtained here use the approach of edge set dividing, and derived results can be applied in physics, chemical, material, and pharmaceutical engineering.