Truncated Face-Rotating Polyhedra Constructed from Pentagonal Pentaphenylpyrrole through Graph Theory

Discovering
novel families of molecular polyhedra through graph
theory has attracted increasing interest. Nevertheless, the design
principles of molecular polyhedra based on graph theory remain elusive,
especially for those containing five-node units. Herein, we construct
a series of chiral truncated face-rotating polyhedra (T‑FRP) from pentagonal penta­phenyl­pyrrole (PPP) derivatives
and chiral diamines. Graph theory is used to elucidate the geometry
of these novel T‑FRP, which represent a new family
of molecular polyhedra. The phenyl flipping of PPP faces in these T‑FRP is significantly restricted, thus making T‑FRP chiral and strongly emissive in solution. In
addition, T‑FRP also generate circularly polarized
luminescence. This study provides new insights into the rational design
of novel molecular polyhedra through graph theory.