Chem
J-GLOBAL ID：200907020089282188   Nikkaji number：J786.161C

22-tert-Butylphthalocyanine

22-tert-ブチルフタロシアニン
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： C36H26N8
Molecular formula furigana： C36-H26-N8
Molecular weight： 570.660
InChI： InChI=1S/C36H26N8/c1-36(2,3)19-16-17-26-27(18-19)35-43-33-25-15-9-8-14-24(25)31(41-33)39-29-21-11-5-4-10-20(21)28(37-29)38-30-22-12-6-7-13-23(22)32(40-30)42-34(26)44-35/h4-18H,1-3H3,(H2,37,38,39,40,41,42,43,44)
InChI key： FGTQELIFLACVQU-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc2c(c1)c1/N=C/3\N=C(/N=c/4\[nH]/c(=N\C5=N/C(=N\c2[nH]1)/c1ccccc51)/c1ccccc41)c1ccccc31
Systematic name  (4)：
  • 22-tert-ブチル-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
  • 22-tert-ブチルフタロシアニン
  • 6-tert-ブチル-2,11,20,29,37,38,39,40-オクタアザノナシクロ[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]テトラコンタ-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6-tert-butyl-2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (2)：
  • 22-tert-Butylphthalocyanine
  • 22-tert-Butyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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