Chem
J-GLOBAL ID：200907062777406863   Nikkaji number：J1.442.740F

21,24,71,74,121,124,171,174-Octahexylphthalocyanine

21,24,71,74,121,124,171,174-オクタヘキシルフタロシアニン
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： C80H114N8
Molecular formula furigana： C80-H114-N8
Molecular weight： 1187.848
InChI： InChI=1S/C80H114N8/c1-9-17-25-33-41-57-49-50-58(42-34-26-18-10-2)66-65(57)73-81-74(66)86-76-69-61(45-37-29-21-13-5)53-54-62(46-38-30-22-14-6)70(69)78(83-76)88-80-72-64(48-40-32-24-16-8)56-55-63(47-39-31-23-15-7)71(72)79(84-80)87-77-68-60(44-36-28-20-12-4)52-51-59(43-35-27-19-11-3)67(68)75(82-77)85-73/h49-56H,9-48H2,1-8H3,(H2,81,82,83,84,85,86,87,88)
InChI key： LRJQPKVUALKPFI-UHFFFAOYSA-N
SMILES： CCCCCCc1ccc(CCCCCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CCCCCC)ccc1CCCCCC)c1c5c(CCCCCC)ccc1CCCCCC)c1c4c(CCCCCC)ccc1CCCCCC
Systematic name  (8)：
  • 21,24,71,74,121,124,171,174-オクタヘキシル-5,10,15,20-テトラアザ-21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 21,24,71,74,121,124,171,174-オクタヘキシル-5,10,15,20-テトラアザ21H,23H-テトラベンゾ[b,g,l,q]ポルフィリン
  • 2,3-(1,4-ジヘキシル-1,3-ブタジエン-1,4-ジイル)-7,8-(1,4-ジヘキシル-1,3-ブタジエン-1,4-ジイル)-12,13-(1,4-ジヘキシル-1,3-ブタジエン-1,4-ジイル)-17,18-(1,4-ジヘキシル-1,3-ブタジエン-1,4-ジイル)-5,10,15,20-テトラアザ-21H,23H-ポルフィリン
  • 21,24,71,74,121,124,171,174-オクタヘキシルフタロシアニン
  • 21,24,71,74,121,124,171,174-オクタキスヘキシルフタロシアニン
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Other name (6)：
  • 21,24,71,74,121,124,171,174-Octahexyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
  • 21,24,71,74,121,124,171,174-Octakishexylphthalocyanine
  • 21,24,71,74,121,124,171,174-Octahexylphthalocyanine
  • 2,3-(1,4-Dihexyl-1,3-butadiene-1,4-diyl)-7,8-(1,4-dihexyl-1,3-butadiene-1,4-diyl)-12,13-(1,4-dihexyl-1,3-butadiene-1,4-diyl)-17,18-(1,4-dihexyl-1,3-butadiene-1,4-diyl)-5,10,15,20-tetraaza-21H,23H-porphyrin
  • 21,24,71,74,121,124,171,174-Octahexyl-5,10,15,20-tetraaza 21H,23H-tetrabenzo[b,g,l,q]porphyrin
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