Chem
J-GLOBAL ID：200907089413424810   Nikkaji number：J1.989.754K

22,23,72,73,122,123,172,173-Octakis[4-(trimethylaminio)phenyl]phthalocyanine

22,23,72,73,122,123,172,173-オクタキス[4-(トリメチルアミニオ)フェニル]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： C104H114N8[N+]8
Molecular formula furigana： C104-H114-N16
Molecular weight： 1588.164
InChI： InChI=1S/C104H114N16/c1-113(2,3)73-41-25-65(26-42-73)81-57-89-90(58-82(81)66-27-43-74(44-28-66)114(4,5)6)98-105-97(89)109-99-91-59-83(67-29-45-75(46-30-67)115(7,8)9)84(68-31-47-76(48-32-68)116(10,11)12)60-92(91)101(106-99)111-103-95-63-87(71-37-53-79(54-38-71)119(19,20)21)88(72-39-55-80(56-40-72)120(22,23)24)64-96(95)104(108-103)112-102-94-62-86(70-35-51-78(52-36-70)118(16,17)18)85(61-93(94)100(107-102)110-98)69-33-49-77(50-34-69)117(13,14)15/h25-64H,1-24H3,(H2,105,106,107,108,109,110,111,112)/q+8
InChI key： MXNUDEINYBNAMC-UHFFFAOYSA-N
SMILES： C[N+](C)(C)c1ccc(cc1)c1cc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2cc1c1ccc(cc1)[N+](C)(C)C)/c1c6cc(c2ccc(cc2)[N+](C)(C)C)c(c1)c1ccc(cc1)[N+](C)(C)C)c1c5cc(c2ccc(cc2)[N+](C)(C)C)c(c1)c1ccc(cc1)[N+](C)(C)C)c1c4cc(c2ccc(cc2)[N+](C)(C)C)c(c1)c1ccc(cc1)[N+](C)(C)C
Systematic name  (4)：
  • 4,4′,4′′,4′′′,4′′′′,4′′′′′,4′′′′′′,4′′′′′′′-(フタロシアニン-22,23,72,73,122,123,172,173-オクタイル)オクタキス(N,N,N-トリメチルベンゼンアミニウム)
  • 22,23,72,73,122,123,172,173-オクタキス[4-(トリメチルアミニオ)フェニル]フタロシアニン
  • 4-{7,15,16,24,25,33,34-ヘプタキス[4-(トリメチルアザニウミル)フェニル]-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-ノナデカエン-6-イル}-N,N,N-トリメチルアニリニウム
  • 4-{7,15,16,24,25,33,34-heptakis[4-(trimethylazaniumyl)phenyl]-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(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaen-6-yl}-N,N,N-trimethylanilinium
Other name (2)：
  • 22,23,72,73,122,123,172,173-Octakis[4-(trimethylaminio)phenyl]phthalocyanine
  • 4,4′,4′′,4′′′,4′′′′,4′′′′′,4′′′′′′,4′′′′′′′-(Phthalocyanine-22,23,72,73,122,123,172,173-octyl)octakis(N,N,N-trimethylbenzenaminium)
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