Chem
J-GLOBAL ID：200907016981602785   Nikkaji number：J1.371.150J

3,19:11,27-Bis(1,3-cyclohexanediylbismethylene)-3,11,19,27-tetraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodecene

1,9,17,25-テトラアザノナシクロ[15.15.7.79,25.13,7.111,15.119,23.127,31.134,38.143,47]ドペンタコンタ-3,5,7(51),11,13,15(50),19(49),20,22,27(41),28,30-ドデカエン
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： C48H60N4
Molecular formula furigana： C48-H60-N4
Molecular weight： 693.036
InChI： InChI=1S/C48H60N4/c1-7-37-19-38(8-1)26-50-29-41-11-4-14-44(22-41)32-51-31-43-13-2-9-39(20-43)27-49(25-37)28-40-10-3-15-45(21-40)33-52(34-46-16-5-12-42(23-46)30-50)36-48-18-6-17-47(24-48)35-51/h1-2,5-9,12-13,16-20,23-24,40-41,44-45H,3-4,10-11,14-15,21-22,25-36H2
InChI key： RCCUFUGEXSXUHF-UHFFFAOYSA-N
SMILES： C1CC2CC(C1)CN1Cc3cccc(CN4CC5CCCC(C5)CN(Cc5cccc(CN(C2)Cc2cccc(C4)c2)c5)Cc2cccc(C1)c2)c3
Systematic name  (3)：
  • 3,19:11,27-ビス(1,3-シクロヘキサンジイルビスメチレン)-3,11,19,27-テトラアザペンタシクロ[27.3.1.15,9.113,17.121,25]ヘキサトリアコンタ-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-ドデカエン
  • 1,9,17,25-テトラアザノナシクロ[15.15.7.79,25.13,7.111,15.119,23.127,31.134,38.143,47]ドペンタコンタ-3,5,7(51),11,13,15(50),19(49),20,22,27(41),28,30-ドデカエン
  • 1,9,17,25-tetraazanonacyclo[15.15.7.79,25.13,7.111,15.119,23.127,31.134,38.143,47]dopentaconta-3,5,7(51),11,13,15(50),19(49),20,22,27(41),28,30-dodecaene
Other name (1)：
  • 3,19:11,27-Bis(1,3-cyclohexanediylbismethylene)-3,11,19,27-tetraazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(33),5(36),6,8,13(35),14,16,21(34),22,24,29,31-dodecene
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