Chem
J-GLOBAL ID：200907070014220524   Nikkaji number：J908.223I

22,23-Di[4-(methylthio)phenyl]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin

22,23-ジ[4-(メチルチオ)フェニル]-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： C46H30N8S2
Molecular formula furigana： C46-H30-N8-S2
Molecular weight： 758.920
InChI： InChI=1S/C46H30N8S2/c1-55-27-19-15-25(16-20-27)35-23-37-38(24-36(35)26-17-21-28(56-2)22-18-26)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(37)54-46/h3-24H,1-2H3,(H2,47,48,49,50,51,52,53,54)
InChI key： WJYXDRSNTUMHHJ-UHFFFAOYSA-N
SMILES： CSc1ccc(cc1)c1cc2c(cc1c1ccc(SC)cc1)c1/N=C/3\N=C(/N=c/4\[nH]/c(=N\C5=N/C(=N\c2[nH]1)/c1ccccc51)/c1ccccc41)c1ccccc31
Systematic name  (3)：
  • 22,23-ジ[4-(メチルチオ)フェニル]-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-(メチルスルファニル)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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-ノナデカエン
  • 6,7-bis[4-(methylsulfanyl)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-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Other name (1)：
  • 22,23-Di[4-(methylthio)phenyl]-5,10,15,20-tetraaza-21H,23H-tetrabenzo[b,g,l,q]porphyrin
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