Fig. 1. Molecular construction approach to generate an unlimited OSC chemical space.

a Important π-conjugated molecular families and examples of well-performing OSC-molecules therein. Molecular morphing operations are designed such that the generated OSC space includes these families. b Schematic overview of the molecular generation process. Starting from benzene, diverse molecules are created by iterative application of up to 22 morphing operations. The first generation resulting from the 8 morphing operations applicable to benzene is fully shown. Molecules in further generations are only shown as examples, but every operation type is depicted at least once, see also Supplementary Fig. 2 for an extended depiction. c Fragment-definitions used throughout the text exemplified for the molecule BDTTE. Connected aromatic ring structures are cores. Linkers and sidegroups both branch from a core structure with a single bond, but are either connecting to at least two core structures or only bonded to one core fragment. d Concepts for symmetry detection used throughout the molecular generation process. e Modified molecular morphing step, adapted to the symmetry constraints imposed on candidate molecules.