(4,2':4',7''-Ter-1H-Indole)-4'',5''-Dione, 3,3',3''-Tris(2-Aminoethyl)-5,5'-Dihydroxy-

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Formula C30H15N6O4
IUPAC Name 3-[3-[3-(cyanomethyl)-2-[3-(cyanomethyl)-5-oxo-6,7-dihydroindole-4,6,7-triid-4-yl]-5-oxo-indol-1-ium-2-ylium-4-id-4-yl]-2-isocyano-5,6-dioxo-cyclohexa-1,3-dien-1-yl]prop-2-ynenitrile; hydron
Molecular Mass 525.494 g·mol−1
Heat of Formation 1628.4 ± 16.7 kJ·mol−1
Dipole Moment 12.53 ± 1.08 D
Volume 543.12 Å 3
Surface Area 396.54 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -4.23 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(2-aminoethyl)-7-[3-(2-aminoethyl)-2-[3-(2-aminoethyl)-5-hydroxy-1h-indol-4-yl]-5-hydroxy-1h-indol-4-yl]-1h-indole-4,5-dione
  • 3-(2-aminoethyl)-7-[3-(2-aminoethyl)-2-[3-(2-aminoethyl)-5-hydroxy-1h-indol-4-yl]-5-hydroxy-1h-indol-4-yl]-1h-indole-4,5-quinone
  • 4-(7'-(tryptamine-4,5-dione))-2,4''-bis-5-hydroxytryptamine
CAS Number(s)
  • 118230-91-4
InChIKey CEMLZXOOHUQQHH-UHFFFAOYSA-N
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