Chem
J-GLOBAL ID：200907017064756907   Nikkaji number：J2.564.969I

5-(4-Mercaptophenyl)-10,15,20-tris(4-methylthiophenyl)-21H,23H-porphyrin

5-(4-メルカプトフェニル)-10,15,20-トリス(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： C47H36N4S4
Molecular formula furigana： C47-H36-N4-S4
Molecular weight： 785.070
InChI： InChI=1S/C47H36N4S4/c1-53-33-14-6-29(7-15-33)45-38-22-20-36(48-38)44(28-4-12-32(52)13-5-28)37-21-23-39(49-37)46(30-8-16-34(54-2)17-9-30)41-25-27-43(51-41)47(42-26-24-40(45)50-42)31-10-18-35(55-3)19-11-31/h4-27,48,51-52H,1-3H3/b44-36-,44-37-,45-38-,45-40-,46-39-,46-41-,47-42-,47-43-
InChI key： GCCZAKRQSUOBAJ-ZQANTMHOSA-N
SMILES： CSc1ccc(cc1)/C/1=c/2\cc/c(=C(/C3=N/C(=C(\c4ccc(/C(=C\5/C=CC1=N5)/c1ccc(S)cc1)[nH]4)/c1ccc(SC)cc1)/C=C3)\c1ccc(SC)cc1)/[nH]2
Systematic name  (3)：
  • 5-(4-メルカプトフェニル)-10,15,20-トリス(4-メチルチオフェニル)-21H,23H-ポルフィリン
  • 4-{7,12,17-トリス[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-イル}ベンゼン-1-チオール
  • 4-{7,12,17-tris[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-undecaen-2-yl}benzene-1-thiol
Other name (1)：
  • 5-(4-Mercaptophenyl)-10,15,20-tris(4-methylthiophenyl)-21H,23H-porphyrin
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