Chem
J-GLOBAL ID:200907024661390430   Nikkaji number:J1.074.411C

N,N′-Di(1-adamantyl)-11,23-bis(phenylethynyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-dicarboxamide

N,N′-ジ(1-アダマンチル)-11,23-ビス(フェニルエチニル)-25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジカルボアミド
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: C78H86N2O6
Molecular formula furigana: C78-H86-N2-O6
Molecular weight: 1147.554
InChI: InChI=1S/C78H86N2O6/c1-5-23-83-71-61-33-53(21-19-51-15-11-9-12-16-51)34-62(71)38-66-42-70(76(82)80-78-48-58-30-59(49-78)32-60(31-58)50-78)44-68(74(66)86-26-8-4)40-64-36-54(22-20-52-17-13-10-14-18-52)35-63(72(64)84-24-6-2)39-67-43-69(41-65(37-61)73(67)85-25-7-3)75(81)79-77-45-55-27-56(46-77)29-57(28-55)47-77/h9-18,33-36,41-44,55-60H,5-8,23-32,37-40,45-50H2,1-4H3,(H,79,81)(H,80,82)/t55-,56?,57?,58-,59?,60?,77-,78-
InChI key: XRWUEHODVBCCPE-NIGNYKBXSA-N
SMILES: CCCOc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C#Cc1ccccc1)c5OCCC)C(=O)N[C@@]12CC5C[C@@H](CC(C5)C1)C2)c4OCCC)C#Cc1ccccc1)c3OCCC)C(=O)N[C@@]12CC3C[C@@H](CC(C3)C1)C2
Systematic name  (3):
  • N,N′-ジ(1-アダマンチル)-11,23-ビス(フェニルエチニル)-25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジカルボアミド
  • 11,23-ビス(2-フェニルエチニル)-25,26,27,28-テトラプロポキシ-N5,N17-ビス[(3r)-アダマンタン-1-イル]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジカルボキサミド
  • 11,23-bis(2-phenylethynyl)-25,26,27,28-tetrapropoxy-N5,N17-bis[(3r)-adamantan-1-yl]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-5,17-dicarboxamide
Other name (1):
  • N,N′-Di(1-adamantyl)-11,23-bis(phenylethynyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-dicarboxamide
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