The calculated S1 energies are all very high for a conjugated organic compound (Table ), mirroring both the magnitude and the trend of the large calculated HOMO-LUMO gaps, with all excited-state energies lying > 3.1 eV. The lowest S1 energy is 3.62 eV in 6,10NICz and the highest is 3.91 eV in 5NICz. The S0-S1 oscillator strengths (f) do not follow this pattern, however, with values of ca. 0.14 for 5NICz, 6NICz, and 6,10NICz while for 4NICz and 7NICz the value is half that at ca. 0.07. The T1 energies, on the other hand, vary very little with structure, changing by only 60 meV between 6,10NICz (3.42 eV) and 5NICz (3.48 eV). As such, the trend in calculated DEST matches that for the S1 energies, with 6,10NICz and 6NICz having the smallest DEST at 0.20 and 0.24 eV, respectively, followed by 4NICz at 0.35 eV, and then 7NICz and 5NICz at 0.37 and 0.43 eV, respectively. Notably, both 6NICz and 6,10NICz have a predicted ΔEST that is sufficiently small to show TADF. All five emitters additionally have a T2 state of different orbital type to S1 (Figure )