Chem
J-GLOBAL ID：200907001458490771   Nikkaji number：J742.890A

5,10,15,20-Tetra(4-(methylthio)phenyl)-21H,23H-porphyrin

5,10,15,20-テトラキス(4-メチルチオフェニル)-21H,23H-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： C48H38N4S4
Molecular formula furigana： C48-H38-N4-S4
Molecular weight： 799.100
InChI： InChI=1S/C48H38N4S4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-
InChI key： UADUVPFFINPWHJ-PJEPRTEXSA-N
SMILES： CSc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(SC)cc1)[nH]4)/c1ccc(SC)cc1)/C=C3)\c1ccc(SC)cc1)/[nH]2
Systematic name  (5)：
  • 5,10,15,20-テトラキス[4-(メチルチオ)フェニル]-21H,23H-ポルフィリン
  • 5,10,15,20-テトラキス(4-メチルチオフェニル)-21H,23H-ポルフィリン
  • 5,10,15,20-テトラ(4-(メチルチオ)フェニル)-21H,23H-ポルフィリン
  • 2,7,12,17-テトラキス[4-(メチルスルファニル)フェニル]-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,9,11(23),12,14,16,18(21),19-ウンデカエン
  • 2,7,12,17-tetrakis[4-(methylsulfanyl)phenyl]-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
Other name (3)：
  • 5,10,15,20-Tetrakis[4-(methylthio)phenyl]-21H,23H-porphyrin
  • 5,10,15,20-Tetrakis(4-methylthiophenyl)-21H,23H-porphyrin
  • 5,10,15,20-Tetra(4-(methylthio)phenyl)-21H,23H-porphyrin
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