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A 126 π‐electron nanobowl molecule, phenine tridehydrosumanene, was synthesized in 12 steps through the development of a polygon cyclization strategy that assembled the polygonal precursors by Ni‐mediated macrocyclization. The bowl‐shaped structure accommodated C70 as a guest at the concave site, and the ball‐in‐bowl structure was determined by X‐ray crystallography. The host–guest equilibrium in solution was studied with titration experiments using isothermal calorimetry, which provided an interesting test case for studying the host–guest stoichiometry. Bayesian inference was introduced for stoichiometric analyses of the equilibrium, and a procedure to estimate the volume of prior probability in the parameter space was developed. The Bayesian procedure functioned as Occam's razor and provided quantitative support for a specific stoichiometry. The method was examined with five host–guest examples comprising nanocarbon hosts, which suggested the versatility of Bayesian inference for studies of supramolecular complexes. [ABSTRACT FROM AUTHOR]

Oligo‐meta‐phenylenes have been designed and synthesized as multipotent base materials of single‐layer organic light‐emitting devices. Simple molecular structures of oligo‐meta‐phenylenes composed of linear phenylene arrays benefited from the wealth of modern reactions available for biaryl couplings and were concisely synthesized in a series. Structure‐performance relationship studies with the first seven congeners revealed key features important for the multipotent materials in single‐layer devices. As a result, highly efficient phosphorescent electroluminescence was made possible in a highly simplified device architecture comprising one‐region, single‐layer configurations. Detailed investigations with hole‐only devices disclosed that the hole mobility was effectively retarded by potent materials, which should facilitate hole/electron recombination for electroluminescence. [ABSTRACT FROM AUTHOR]