Chem
J-GLOBAL ID：200907070963270125   Nikkaji number：J2.069.621D

Anthracocyanine

アントラコシアニン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C64H34N8
Molecular formula furigana： C64-H34-N8
Molecular weight： 915.032
InChI： InChI=1S/C64H34N8/c1-2-10-34-18-42-26-50-49(25-41(42)17-33(34)9-1)57-65-58(50)70-60-53-29-45-21-37-13-5-6-14-38(37)22-46(45)30-54(53)62(67-60)72-64-56-32-48-24-40-16-8-7-15-39(40)23-47(48)31-55(56)63(68-64)71-61-52-28-44-20-36-12-4-3-11-35(36)19-43(44)27-51(52)59(66-61)69-57/h1-32H,(H2,65,66,67,68,69,70,71,72)
InChI key： SHQYDQQYJGBMKV-UHFFFAOYSA-N
SMILES： c1ccc2cc3cc4/C/5=N/c6[nH]c(/N=C/7\N=C(/N=c/8\[nH]/c(=N\C(=N5)c4cc3cc2c1)/c1c8cc2cc3ccccc3cc2c1)c1c7cc2cc3ccccc3cc2c1)c1c6cc2cc3ccccc3cc2c1
Systematic name  (4)：
  • 24,25-(1,3-ブタジエン-1,4-ジイル)-74,75-(1,3-ブタジエン-1,4-ジイル)-124,125-(1,3-ブタジエン-1,4-ジイル)-174,175-(1,3-ブタジエン-1,4-ジイル)-5,10,15,20-テトラアザ-21H,23H-テトラナフト[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]ポルフィリン
  • 2,16-(アントラセン-2,3-ジイリデン)-4,6-(2,3-アントラセンジイル)-8,10-(2,3-アントラセンジイル)-12,14-(2,3-アントラセンジイル)-1,3,5,7,9,11,13,15-オクタアザ-3,5,7,10,12,14-シクロヘキサデカヘキサエン
  • 2,19,36,53,69,70,71,72-オクタアザヘプタデカシクロ[52.14.1.13,18.120,35.137,52.04,17.06,15.08,13.021,34.023,32.025,30.038,51.040,49.042,47.055,68.057,66.059,64]ドヘプタコンタ-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35(71),36,38,40,42,44,46,48,50,52,54(69),55,57,59,61,63,65,67-ペンタトリアコンタエン
  • 2,19,36,53,69,70,71,72-octaazaheptadecacyclo[52.14.1.13,18.120,35.137,52.04,17.06,15.08,13.021,34.023,32.025,30.038,51.040,49.042,47.055,68.057,66.059,64]doheptaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35(71),36,38,40,42,44,46,48,50,52,54(69),55,57,59,61,63,65,67-pentatriacontaene
Other name (4)：
  • 24,25-(1,3-Butadiene-1,4-diyl)-74,75-(1,3-butadiene-1,4-diyl)-124,125-(1,3-butadiene-1,4-diyl)-174,175-(1,3-butadiene-1,4-diyl)-5,10,15,20-tetraaza-21H,23H-tetranaphtho[2,3-b:2′,3′-g:2′′,3′′-l:2′′′,3′′′-q]porphyrin
  • 2,16-(Anthracene-2,3-diylidene)-4,6-(2,3-anthracenediyl)-8,10-(2,3-anthracenediyl)-12,14-(2,3-anthracenediyl)-1,3,5,7,9,11,13,15-octaaza-3,5,7,10,12,14-cyclohexadecahexaene
  • アントラコシアニン
  • Anthracocyanine
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