<p>This paper is a pioneering computational study of the nanomechanical properties of biphenyl helices. The mechanical properties of this structure in intact and perforated form and single and double layers, including stress-strain and force-strain diagrams under tensile simulations, were investigated by molecular dynamics simulation. The experimental intermolecular reactive adaptive bond order potential was used to model the covalent bonds and van der Waals interactions between carbon atoms of this structure. Also, the paper’s last part investigates the helices’ mechanical behavior. The results obtained from these simulations indicate three major deformation phases, including elastic due to van der Waals interactions between spiral layers, elastic due to covalent bonds of carbon atoms, and inelastic regimes. In this study, an attempt was made to determine the changes in geometric parameters, including the cross-sectional area of ​​the spiral structure, the effect of pinhole size on these properties, and the effect of the number of layers on the mechanical properties of biphenylene spirals.</p>