(1S)-2'-Anilino-6'-(Dibutylamino)-3'-Methyl-3H-Spiro[2-Benzofuran-1,9'-Xanthen]-3-One

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Properties Simple | Detailed

Formula C35H36N2O3
IUPAC Name [(1s)-6'-[buta-1,3-diynyl(prop-1-ynyl)amino]-3'-methyl-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-2'-yl]-methylidyne-ammonium
Molecular Mass 532.672 g·mol−1
Heat of Formation -200.7 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 660.32 Å 3
Surface Area 544.09 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-1-spiro[isobenzofuran-3,9'-xanthene]one
  • (3s)-6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
  • (3s)-6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-3,9'-xanthene]-1-one
InChIKey XAAILNNJDMIMON-DHUJRADRSA-N
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