Chem
J-GLOBAL ID：200907070578205584   Nikkaji number：J908.224G

22,23-Di(p-tolylsulfinyl)-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin

22,23-ジ(p-トリルスルフィニル)-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
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： C46H30N8O2S2
Molecular formula furigana： C46-H30-N8-O2-S2
Molecular weight： 790.920
InChI： InChI=1S/C46H30N8O2S2/c1-25-15-19-27(20-16-25)57(55)37-23-35-36(24-38(37)58(56)28-21-17-26(2)18-22-28)46-53-44-34-14-8-6-12-32(34)42(51-44)49-40-30-10-4-3-9-29(30)39(47-40)48-41-31-11-5-7-13-33(31)43(50-41)52-45(35)54-46/h3-24H,1-2H3,(H2,47,48,49,50,51,52,53,54)
InChI key： LYQIDNSCCLHTBT-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1)S(=O)c1cc2c3/N=C/4\N=C(/N=c/5\[nH]/c(=N\C6=N/C(=N\c([nH]3)c2cc1S(=O)c1ccc(C)cc1)/c1ccccc61)/c1ccccc51)c1ccccc41
Systematic name  (3)：
  • 22,23-ジ(p-トリルスルフィニル)-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
  • 6,7-ビス(4-メチルベンゼンスルフィニル)-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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6,7-bis(4-methylbenzenesulfinyl)-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 (1)：
  • 22,23-Di(p-tolylsulfinyl)-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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