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

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Properties Simple | Detailed

Formula C32H30N2O4
IUPAC Name 3-(6-ethynyl-1-azacyclonona-4,7-diyn-3-ylidene)-6-[(6z,8z)-6-prop-1-ynyl-1-azacyclonona-6,8-dien-4-yn-3-ylidene]cyclohexane-1,2,4,5-tetrone
Molecular Mass 506.592 g·mol−1
Heat of Formation -255.0 ± 16.7 kJ·mol−1
Dipole Moment 2.78 ± 1.08 D
Volume 617.22 Å 3
Surface Area 455.42 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2,5-dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1h-indol-3-yl)-
  • 2,5-dihydroxy-3,6-bis(5-(3-methyl-2-butenyl)-1h-indol-3-yl)-2,5-cyclohexadiene-1,4-dione
  • 2,5-dihydroxy-3,6-bis[5-(3-methylbut-2-enyl)-1h-indol-3-yl]-1,4-benzoquinone
  • 2,5-dihydroxy-3,6-bis[5-(3-methylbut-2-enyl)-1h-indol-3-yl]-p-benzoquinone
  • 2,5-dihydroxy-3,6-bis[5-(3-methylbut-2-enyl)-1h-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
  • 3,6-bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy-p-benzoquinone
  • cochliodinol
  • p-benzoquinone, 3,6-bis(5-(3-methyl-2-butenyl)indol-3-yl)-2,5-dihydroxy-
CAS Number(s)
  • 11051-88-0
InChIKey ZXRULNXZJSCTQQ-UHFFFAOYSA-N
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