Chem
J-GLOBAL ID：201307007847466186   Nikkaji number：J3.123.818H

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-dodecaene-5,11,17,23-tetrayltetrakis[methylene(1H-1,2,3-triazole-1,4-diyl)methylene]tetrakis(trimethylaminium)

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-5,11,17,23-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)
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： C68H100N12[N+]4O4
Molecular formula furigana： C68-H100-N16-O4
Molecular weight： 1205.654
InChI： InChI=1S/C68H100N16O4/c1-17-21-85-65-53-25-49(37-77-41-61(69-73-77)45-81(5,6)7)26-54(65)34-56-28-51(39-79-43-63(71-75-79)47-83(11,12)13)30-58(67(56)87-23-19-3)36-60-32-52(40-80-44-64(72-76-80)48-84(14,15)16)31-59(68(60)88-24-20-4)35-57-29-50(27-55(33-53)66(57)86-22-18-2)38-78-42-62(70-74-78)46-82(8,9)10/h25-32,41-44H,17-24,33-40,45-48H2,1-16H3/q+4
InChI key： UUXCKOVJTQFNIO-UHFFFAOYSA-N
SMILES： CCCOc1c2Cc3cc(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)c5OCCC)c4OCCC)c3OCCC
Systematic name  (5)：
  • 1,1′,1′′,1′′′-[[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-5,11,17,23-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)
  • N,N′,N′′,N′′′-[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-5,11,17,23-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(トリメチルアミニウム)
  • 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-5,11,17,23-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)
  • トリメチル[(1-{[25,26,27,28-テトラプロポキシ-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
  • trimethyl[(1-{[25,26,27,28-tetrapropoxy-11,17,23-tris({4-[(trimethylazaniumyl)methyl]-1H-1,2,3-triazol-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-dodecaen-5-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]azanium
Other name (3)：
  • 1,1′,1′′,1′′′-[[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-dodecaene-5,11,17,23-tetrayl]tetrakismethylene]tetrakis(N,N,N-trimethyl-1H-1,2,3-triazole-4-methaneaminium)
  • N,N′,N′′,N′′′-[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-dodecaene-5,11,17,23-tetrayltetrakis[methylene[(1H-1,2,3-triazole-1,4-diylmethylene)]]]tetra(trimethylaminium)
  • 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-dodecaene-5,11,17,23-tetrayltetrakis[methylene(1H-1,2,3-triazole-1,4-diyl)methylene]tetrakis(trimethylaminium)
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