Chem
J-GLOBAL ID：200907018231195862   Nikkaji number：J1.982.052A

21,24,71,74,121,124,171,174-Octabutyl-22,23:72,73:122,123:172,173-tetrakis(o-xylylenebisthio)phthalocyanine

21,24,71,74,121,124,171,174-オクタブチル-22,23:72,73:122,123:172,173-テトラキス(o-キシリレンビスチオ)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： C96H106N8S8
Molecular formula furigana： C96-H106-N8-S8
Molecular weight： 1628.440
InChI： InChI=1S/C96H106N8S8/c1-9-17-41-65-73-74(66(42-18-10-2)82-81(65)105-49-57-33-25-26-34-58(57)50-106-82)90-97-89(73)101-91-75-67(43-19-11-3)83-84(108-52-60-36-28-27-35-59(60)51-107-83)68(44-20-12-4)76(75)93(98-91)103-95-79-71(47-23-15-7)87-88(112-56-64-40-32-31-39-63(64)55-111-87)72(48-24-16-8)80(79)96(100-95)104-94-78-70(46-22-14-6)86-85(69(45-21-13-5)77(78)92(99-94)102-90)109-53-61-37-29-30-38-62(61)54-110-86/h25-40H,9-24,41-56H2,1-8H3,(H2,97,98,99,100,101,102,103,104)
InChI key： SHOHSGQRIOZTEU-UHFFFAOYSA-N
SMILES： CCCCc1c2SCc3ccccc3CSc2c(CCCC)c2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c12)/c1c6c(CCCC)c2SCc3ccccc3CSc2c1CCCC)c1c5c(CCCC)c2SCc3ccccc3CSc2c1CCCC)c1c4c(CCCC)c2SCc3ccccc3CSc2c1CCCC
Systematic name  (8)：
  • 21,24,71,74,121,124,171,174-オクタブチル-22,23-[1,2-フェニレンビス(メチレンチオ)]-72,73-[1,2-フェニレンビス(メチレンチオ)]-122,123-[1,2-フェニレンビス(メチレンチオ)]-172,173-[1,2-フェニレンビス(メチレンチオ)]-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-オクタブチル-22,23-(o-キシリレンビスチオ)-72,73-(o-キシリレンビスチオ)-122,123-(o-キシリレンビスチオ)-172,173-(o-キシリレンビスチオ)フタロシアニン
  • 21,24,71,74,121,124,171,174-オクタブチル-22,23:72,73:122,123:172,173-テトラ[1,2-フェニレンビス(メチレンチオ)]フタロシアニン
  • 21,24,71,74,121,124,171,174-オクタブチル-22,23-[o-フェニレンビス(メチレンチオ)]-72,73-[o-フェニレンビス(メチレンチオ)]-122,123-[o-フェニレンビス(メチレンチオ)]-172,173-[o-フェニレンビス(メチレンチオ)]-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-オクタブチル-22,23:72,73:122,123:172,173-テトラキス(o-キシリレンビスチオ)フタロシアニン
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Other name (6)：
  • 21,24,71,74,121,124,171,174-Octabutyl-22,23-[1,2-phenylenebis(methylenethio)]-72,73-[1,2-phenylenebis(methylenethio)]-122,123-[1,2-phenylenebis(methylenethio)]-172,173-[1,2-phenylenebis(methylenethio)]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
  • 21,24,71,74,121,124,171,174-Octabutyl-22,23:72,73:122,123:172,173-tetrakis(o-xylylenebisthio)phthalocyanine
  • 21,24,71,74,121,124,171,174-Octabutyl-22,23-[o-phenylenebis(methylenethio)]-72,73-[o-phenylenebis(methylenethio)]-122,123-[o-phenylenebis(methylenethio)]-172,173-[o-phenylenebis(methylenethio)]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
  • 21,24,71,74,121,124,171,174-Octabutyl-22,23:72,73:122,123:172,173-tetra[1,2-phenylenebis(methylenethio)]phthalocyanine
  • 21,24,71,74,121,124,171,174-Octabutyl-22,23-(o-xylylenebisthio)-72,73-(o-xylylenebisthio)-122,123-(o-xylylenebisthio)-172,173-(o-xylylenebisthio)phthalocyanine
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