Chem
J-GLOBAL ID：200907028473342954   Nikkaji number：J1.373.590E

5,9:15,19:25,29-Trimetheno-1,3,11,13,21,23-hexaazacyclotriacontane-5,7,15,17,25,27-hexaene-2,12,22-trithione

5,9:15,19:25,29-トリメテノ-1,3,11,13,21,23-ヘキサアザシクロトリアコンタン-5,7,15,17,25,27-ヘキサエン-2,12,22-トリチオン
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： C27H30N6S3
Molecular formula furigana： C27-H30-N6-S3
Molecular weight： 534.760
InChI： InChI=1S/C27H30N6S3/c34-25-28-13-19-4-1-5-20(10-19)14-29-26(35)31-16-22-7-3-9-24(12-22)18-33-27(36)32-17-23-8-2-6-21(11-23)15-30-25/h1-12H,13-18H2,(H2,28,30,34)(H2,29,31,35)(H2,32,33,36)
InChI key： LQENTGPVOBJHHA-UHFFFAOYSA-N
SMILES： S=C1NCc2cccc(CNC(=S)NCc3cccc(CNC(=S)NCc4cccc(CN1)c4)c3)c2
Systematic name  (4)：
  • 5,9:15,19:25,29-トリメテノ-1,3,11,13,21,23-ヘキサアザシクロトリアコンタン-5,7,15,17,25,27-ヘキサエン-2,12,22-トリチオン
  • 3,5,13,15,23,25-ヘキサアザテトラシクロ[25.3.1.17,11.117,21]トリトリアコンタン-1(31),7,9,11(33),17,19,21(32),27,29-ノナエン-4,14,24-トリチオン
  • 3,5,13,15,23,25-ヘキサアザテトラシクロ[25.3.1.17,11.117,21]トリトリアコンタ-1(31),7,9,11(33),17,19,21(32),27,29-ノナエン-4,14,24-トリチオン
  • 3,5,13,15,23,25-hexaazatetracyclo[25.3.1.17,11.117,21]tritriaconta-1(31),7,9,11(33),17,19,21(32),27,29-nonaene-4,14,24-trithione
Other name (2)：
  • 5,9:15,19:25,29-Trimetheno-1,3,11,13,21,23-hexaazacyclotriacontane-5,7,15,17,25,27-hexaene-2,12,22-trithione
  • 3,5,13,15,23,25-Hexaazatetracyclo[25.3.1.17,11.117,21]tritriacontane-1(31),7,9,11(33),17,19,21(32),27,29-nonaene-4,14,24-trithione
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