(3Z)-5-{5-[(2S)-2-Amino-3-(1H-Indol-3-Yl)Propoxy]-3-Pyridinyl}-3-(1H-Pyrrol-2-Ylmethylene)-1,3-Dihydro-2H-Indol-2-One

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Properties Simple | Detailed

Formula C29H25N5O2
IUPAC Name (3z)-5-[5-[(2s)-2-amino-3-(2h-indol-1-ium-2-ylium-3-yl)propoxy]-3-pyridyl]-3-(3h-pyrrol-1-ium-3-id-2-ylmethylene)indolin-2-one
Molecular Mass 475.541 g·mol−1
Heat of Formation 255.9 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 559.59 Å 3
Surface Area 493.98 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-5-[5-[(2s)-2-amino-3-(1h-indol-3-yl)propoxy]-3-pyridyl]-3-(1h-pyrrol-2-ylmethylene)-2-indolinone
  • (3z)-5-[5-[(2s)-2-amino-3-(1h-indol-3-yl)propoxy]-3-pyridyl]-3-(1h-pyrrol-2-ylmethylene)indolin-2-one
  • (3z)-5-[5-[(2s)-2-amino-3-(1h-indol-3-yl)propoxy]-3-pyridyl]-3-(1h-pyrrol-2-ylmethylene)oxindole
  • (3z)-5-[5-[(2s)-2-amino-3-(1h-indol-3-yl)propoxy]pyridin-3-yl]-3-(1h-pyrrol-2-ylmethylidene)-1h-indol-2-one
InChIKey DQMKXCKXZQEVJU-VHLXNKDGSA-N
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