Chem
J-GLOBAL ID:200907043144302347   Nikkaji number:J1.309.028I

3,3′-[Trimethylenebis(1H-indole-2,3-diyl)]-[4,4′-[ethylenebis(piperazine-1,4-diyl)]bis(1-methyl-3-pyrroline-2,5-dione)]

3,3′-[トリメチレンビス(1H-インドール-2,3-ジイル)]-[4,4′-[エチレンビス(ピペラジン-1,4-ジイル)]ビス(1-メチル-3-ピロリン-2,5-ジオン)]
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: C39H42N8O4
Molecular formula furigana: C39-H42-N8-O4
Molecular weight: 686.817
InChI: InChI=1S/C39H42N8O4/c1-42-36(48)32-30-24-8-3-5-10-26(24)40-28(30)12-7-13-29-31(25-9-4-6-11-27(25)41-29)33-35(39(51)43(2)37(33)49)47-22-18-45(19-23-47)15-14-44-16-20-46(21-17-44)34(32)38(42)50/h3-6,8-11,40-41H,7,12-23H2,1-2H3
InChI key: GHKUITLYAPXDLZ-UHFFFAOYSA-N
SMILES: CN1C(=O)C2=C(C1=O)c1c(CCCc3[nH]c4ccccc4c3C3=C(N4CCN(CC4)CCN4CCN2CC4)C(=O)N(C)C3=O)[nH]c2ccccc12
Systematic name  (3):
  • 3,3′-[トリメチレンビス(1H-インドール-2,3-ジイル)]-[4,4′-[エチレンビス(ピペラジン-1,4-ジイル)]ビス(1-メチル-3-ピロリン-2,5-ジオン)]
  • 4,30-ジメチル-1,4,14,20,30,33,36,39-オクタアザノナシクロ[37.2.2.233,36.02,6.07,15.08,13.019,27.021,26.028,32]ペンタテトラコンタ-2(6),7(15),8,10,12,19(27),21,23,25,28(32)-デカエン-3,5,29,31-テトラオン
  • 4,30-dimethyl-1,4,14,20,30,33,36,39-octaazanonacyclo[37.2.2.233,36.02,6.07,15.08,13.019,27.021,26.028,32]pentatetraconta-2(6),7(15),8,10,12,19(27),21,23,25,28(32)-decaene-3,5,29,31-tetrone
Other name (1):
  • 3,3′-[Trimethylenebis(1H-indole-2,3-diyl)]-[4,4′-[ethylenebis(piperazine-1,4-diyl)]bis(1-methyl-3-pyrroline-2,5-dione)]
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