Chem
J-GLOBAL ID:200907048251342353   Nikkaji number:J1.005.976C

21,71,121,171-Tetrakis[4-(α,α-dimethylbenzyl)phenoxy]phthalocyanine

21,71,121,171-テトラキス[4-(α,α-ジメチルベンジル)フェノキシ]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: C92H74N8O4
Molecular formula furigana: C92-H74-N8-O4
Molecular weight: 1355.656
InChI: InChI=1S/C92H74N8O4/c1-89(2,57-25-13-9-14-26-57)61-41-49-65(50-42-61)101-73-37-21-33-69-77(73)85-93-81(69)98-86-79-71(35-23-39-75(79)103-67-53-45-63(46-54-67)91(5,6)59-29-17-11-18-30-59)83(95-86)100-88-80-72(36-24-40-76(80)104-68-55-47-64(48-56-68)92(7,8)60-31-19-12-20-32-60)84(96-88)99-87-78-70(82(94-87)97-85)34-22-38-74(78)102-66-51-43-62(44-52-66)90(3,4)58-27-15-10-16-28-58/h9-56H,1-8H3,(H2,93,94,95,96,97,98,99,100)
InChI key: CHZPTXIHDXWAFT-UHFFFAOYSA-N
SMILES: CC(C)(c1ccccc1)c1ccc(Oc2cccc3/C/4=N/c5[nH]c(/N=C/6\N=C(/N=c/7\[nH]/c(=N\C(=N4)c23)/c2c7c(Oc3ccc(cc3)C(C)(C)c3ccccc3)ccc2)c2c6c(Oc3ccc(cc3)C(C)(C)c3ccccc3)ccc2)c2c5c(Oc3ccc(cc3)C(C)(C)c3ccccc3)ccc2)cc1
Systematic name  (4):
  • 21,71,121,171-テトラキス[4-(1-メチル-1-フェニルエチル)フェノキシ]フタロシアニン
  • 21,71,121,171-テトラキス[4-(α,α-ジメチルベンジル)フェノキシ]フタロシアニン
  • 5,14,23,32-テトラキス[4-(2-フェニルプロパン-2-イル)フェノキシ]-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
  • 5,14,23,32-tetrakis[4-(2-phenylpropan-2-yl)phenoxy]-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):
  • 21,71,121,171-Tetrakis[4-(1-methyl-1-phenylethyl)phenoxy]phthalocyanine
  • 21,71,121,171-Tetrakis[4-(α,α-dimethylbenzyl)phenoxy]phthalocyanine
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