Chem
J-GLOBAL ID：200907064105093894   Nikkaji number：J2.091.038K

72,122,172-Tri-tert-butyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22-carbonitrile

72,122,172-トリ-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-カルボニトリル
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： C45H41N9
Molecular formula furigana： C45-H41-N9
Molecular weight： 707.886
InChI： InChI=1S/C45H41N9/c1-43(2,3)24-11-15-28-32(19-24)41-50-36(28)48-39-31-18-23(22-46)10-14-27(31)35(47-39)49-40-33-20-25(44(4,5)6)12-16-29(33)37(51-40)53-42-34-21-26(45(7,8)9)13-17-30(34)38(52-41)54-42/h10-21H,1-9H3,(H2,47,48,49,50,51,52,53,54)
InChI key： WBEHRFOXLJYDTE-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)C#N
Systematic name  (3)：
  • 72,122,172-トリ-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-カルボニトリル
  • 15,24,33-トリ-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-カルボニトリル
  • 15,24,33-tri-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-6-carbonitrile
Other name (1)：
  • 72,122,172-Tri-tert-butyl-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin-22-carbonitrile
Thsaurus map：
Thesaurus Map

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