Chem
J-GLOBAL ID：201407080499375470   Nikkaji number：J3.292.491C

5,11,17,23-Tetra[4-(trimethylaminiomethyl)-1H-1,2,3-triazole-1-ylmethyl]-25,26,27,28-tetra(pentyloxy)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

5,11,17,23-テトラ[4-(トリメチルアミニオメチル)-1H-1,2,3-トリアゾール-1-イルメチル]-25,26,27,28-テトラ(ペンチルオキシ)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
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： C76H116N12[N+]4O4
Molecular formula furigana： C76-H116-N16-O4
Molecular weight： 1317.870
InChI： InChI=1S/C76H116N16O4/c1-17-21-25-29-93-73-61-33-57(45-85-49-69(77-81-85)53-89(5,6)7)34-62(73)42-64-36-59(47-87-51-71(79-83-87)55-91(11,12)13)38-66(75(64)95-31-27-23-19-3)44-68-40-60(48-88-52-72(80-84-88)56-92(14,15)16)39-67(76(68)96-32-28-24-20-4)43-65-37-58(35-63(41-61)74(65)94-30-26-22-18-2)46-86-50-70(78-82-86)54-90(8,9)10/h33-40,49-52H,17-32,41-48,53-56H2,1-16H3/q+4
InChI key： JSLJVPXBBCOQQZ-UHFFFAOYSA-N
SMILES： CCCCCOc1c2Cc3cc(Cn4cc(C[N+](C)(C)C)nn4)cc(Cc4cc(Cn5cc(C[N+](C)(C)C)nn5)cc(Cc5cc(Cn6cc(C[N+](C)(C)C)nn6)cc(Cc1cc(Cn1cc(C[N+](C)(C)C)nn1)c2)c5OCCCCC)c4OCCCCC)c3OCCCCC
Systematic name  (6)：
  • 25,26,27,28-テトラキス(ペンチルオキシ)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-5,11,17,23-テトライルテトラキス[メチレン(1H-1,2,3-トリアゾール-1,4-ジイル)メチレン]テトラキス(トリメチルアミニウム)
  • 5,11,17,23-テトラ[4-(トリメチルアミニオメチル)-1H-1,2,3-トリアゾール-1-イルメチル]-25,26,27,28-テトラ(ペンチルオキシ)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
  • 1,1′,1′′,1′′′-[25,26,27,28-テトラキス(ペンチルオキシ)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-5,11,17,23-テトライルテトラキスメチレン]テトラキス(N,N,N-トリメチル-1H-1,2,3-トリアゾール-4-メタンアミニウム)
  • 25,26,27,28-テトラ(ペンチルオキシ)-5,11,17,23-テトラキス[[4-(トリメチルアミニオメチル)-1H-1,2,3-トリアゾール-1-イル]メチル]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
  • トリメチル[(1-{[25,26,27,28-テトラキス(ペンチルオキシ)-11,17,23-トリス({4-[(トリメチルアザニウミル)メチル]-1H-1,2,3-トリアゾール-1-イル}メチル)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-イル]メチル}-1H-1,2,3-トリアゾール-4-イル)メチル]アザニウム
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Other name (4)：
  • 25,26,27,28-Tetrakis(pentyloxy)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-5,11,17,23-tetrayltetrakis[methylene(1H-1,2,3-triazole-1,4-diyl)methylene]tetrakis(trimethylaminium)
  • 5,11,17,23-Tetra[4-(trimethylaminiomethyl)-1H-1,2,3-triazole-1-ylmethyl]-25,26,27,28-tetra(pentyloxy)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
  • 1,1′,1′′,1′′′-[25,26,27,28-Tetrakis(pentyloxy)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-5,11,17,23-tetrayltetrakismethylene]tetrakis(N,N,N-trimethyl-1H-1,2,3-triazole-4-methaneaminium)
  • 25,26,27,28-Tetra(pentyloxy)-5,11,17,23-tetrakis[[4-(trimethylaminiomethyl)-1H-1,2,3-triazole-1-yl]methyl]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
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