3,3'-Bis[(4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]-1,1'-Bicyclopenta[B]Indole-2,2'(4H,4'H)-Dione

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Properties Simple | Detailed

Formula C28H20N2O4
IUPAC Name 3-methylene-1-[(3e)-3-(oxiran-2-ylidene)-2-oxo-1h-cyclopenta[b]indol-4-ium-1-yl]-1h-cyclopenta[b]indol-4-ium-2-one; prop-1-yne; hydrate
Molecular Mass 448.469 g·mol−1
Heat of Formation 4482.2 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 518.49 Å 3
Surface Area 438.67 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -4.03 ± eV
Point Group Symmetry C1
Synonyms
  • (1,1'-bicyclopent(b)indole)-2,2'(3h,3'h)-dione, 3,3'-bis((4-hydroxyphenyl)methylene)-
  • (1,1'-bicyclopent(b)indole)-2,2'(3h,3'h)-dione, 3,3'-bis((4hydroxyphenyl)methylene)-3,3'-bis((4-hydroxyphenyl)methylene)-(1,1'-bicyclopent(b)indole)-2,2'(3h,3'h)-dione
  • 3,3'-bis((4-hydroxyphenyl)methylene)-(1,1'-bicyclopent(b)indole)-2,2'(3h,3'h)-dione
  • 3-[(4-keto-1-cyclohexa-2,5-dienylidene)methyl]-1-[2-keto-3-[(4-keto-1-cyclohexa-2,5-dienylidene)methyl]-4h-cyclopenta[b]indol-1-yl]-4h-cyclopenta[b]indol-2-one
  • 3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-1-[2-oxo-3-[(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-4h-cyclopenta[b]indol-1-yl]-4h-cyclopenta[b]indol-2-one
  • k00271
  • scytonemin
  • scytonemin, <i>lyngbya</i> sp.
CAS Number(s)
  • 152075-98-4
InChIKey UKHVKOPXBMEBTD-UHFFFAOYSA-N
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