2,5-Dihydroxy-3-(1H-Indol-3-Yl)-6-[6-(3-Methyl-2-Buten-1-Yl)-1H-Indol-3-Yl]-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C27H22N2O4
IUPAC Name 2-[6-(2-cyclopropylethyl)-2h-indol-1-ium-2-ylium-3-yl]-3,6-dihydroxy-5-indol-7a-ylium-3a-id-3-yl-1,4-benzoquinone
Molecular Mass 438.475 g·mol−1
Heat of Formation 939.0 ± 16.7 kJ·mol−1
Dipole Moment 2.61 ± 1.08 D
Volume 498.08 Å 3
Surface Area 435.4 Å 2
HOMO Energy -6.70 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-dihydroxy-3-(1h-indol-3-yl)-6-[6-(3-methylbut-2-enyl)-1h-indol-3-yl]-1,4-benzoquinone
  • 2,5-dihydroxy-3-(1h-indol-3-yl)-6-[6-(3-methylbut-2-enyl)-1h-indol-3-yl]-p-benzoquinone
  • 2,5-dihydroxy-3-(1h-indol-3-yl)-6-[6-(3-methylbut-2-enyl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
  • semicochliodinol b
InChIKey JWHQWQQROAZMII-UHFFFAOYSA-N
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