Chem
J-GLOBAL ID：200907028739198854   Nikkaji number：J786.165F

22-Nitro-72,122,172-tri-tert-butylphthalocyanine

22-ニトロ-72,122,172-トリ-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： C44H41N8[N+]O[O-]
Molecular formula furigana： C44-H41-N9-O2
Molecular weight： 727.873
InChI： InChI=1S/C44H41N9O2/c1-42(2,3)22-10-14-26-30(18-22)38-45-34(26)47-39-32-20-24(44(7,8)9)12-16-28(32)36(49-39)51-41-33-21-25(53(54)55)13-17-29(33)37(52-41)50-40-31-19-23(43(4,5)6)11-15-27(31)35(46-38)48-40/h10-21H,1-9H3,(H2,45,46,47,48,49,50,51,52)
InChI key： UAHYIJVWNZUYQQ-UHFFFAOYSA-N
SMILES： CC(C)(C)c1ccc2/C/3=N/c4[nH]c(/N=C/5\N=C(/N=c/6\[nH]/c(=N\C(=N3)c2c1)/c1c6cc(cc1)C(C)(C)C)c1c5cc(cc1)C(C)(C)C)c1c4cc(cc1)[N+](=O)[O-]
Systematic name  (4)：
  • 72,122,172-トリ-tert-ブチル-22-ニトロフタロシアニン
  • 22-ニトロ-72,122,172-トリ-tert-ブチルフタロシアニン
  • 15,24,33-トリ-tert-ブチル-6-ニトロ-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
  • 15,24,33-tri-tert-butyl-6-nitro-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)：
  • 72,122,172-Tri-tert-butyl-22-nitrophthalocyanine
  • 22-Nitro-72,122,172-tri-tert-butylphthalocyanine
Thsaurus map：
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