SpecML

Predict how a BODIPY absorbs and emits light

Enter a SMILES and a solvent to get absorption and emission maxima, molar absorption coefficient, fluorescence lifetime, fluorescence and singlet oxygen quantum yields — each with a reliability estimate.

Must be a BODIPY: the SMILES has to contain [B-] and F.

Results appear here

For each property you get the predicted value, a reliability mark and the expected error.

  • Absorption maximum
  • Molar absorption coefficient
  • Emission maximum
  • Fluorescence lifetime
  • Fluorescence quantum yield
  • Singlet oxygen quantum yield

In development: Octanol–water partition coefficient (logP).