Chem
J-GLOBAL ID：200907010279580678   Nikkaji number：J1.883.442A

6,6′-[Trimethylenebis[[(1H-imidazole-3-ium)-1,3-diyl]methylene]]-[3,3′-[trimethylenebis[[(1H-imidazole-3-ium)-1,3-diyl]methylene]]bis(1,2,4,5-tetramethylbenzene)]

6,6′-[トリメチレンビス[[(1H-イミダゾール-3-イウム)-1,3-ジイル]メチレン]]-[3,3′-[トリメチレンビス[[(1H-イミダゾール-3-イウム)-1,3-ジイル]メチレン]]ビス(1,2,4,5-テトラメチルベンゼン)]
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： C42H56N4[N+]4
Molecular formula furigana： C42-H56-N8
Molecular weight： 672.964
InChI： InChI=1S/C42H56N8/c1-31-32(2)40-24-48-20-16-44(28-48)12-10-14-46-18-22-50(30-46)26-42-37(7)35(5)41(36(6)38(42)8)25-49-21-17-45(29-49)13-9-11-43-15-19-47(27-43)23-39(31)33(3)34(40)4/h15-22,27-30H,9-14,23-26H2,1-8H3/q+4
InChI key： KEVJTZOXRCCASJ-UHFFFAOYSA-N
SMILES： Cc1c(C)c2C[n+]3ccn(CCCn4cc[n+](Cc5c(C)c(C)c(C[n+]6ccn(CCCn7cc[n+](Cc1c(C)c2C)c7)c6)c(C)c5C)c4)c3
Systematic name  (3)：
  • 6,6′-[トリメチレンビス[[(1H-イミダゾール-3-イウム)-1,3-ジイル]メチレン]]-[3,3′-[トリメチレンビス[[(1H-イミダゾール-3-イウム)-1,3-ジイル]メチレン]]ビス(1,2,4,5-テトラメチルベンゼン)]
  • 16,17,33,34,35,36,39,40-オクタメチル-3λ5,6,10,13λ5,20λ5,23,27,30λ5-オクタアザヘプタシクロ[30.2.2.215,18.13,6.110,13.120,23.127,30]ドテトラコンタ-1(34),3(42),4,11,13(41),15,17,20(38),21,28,30(37),32,35,39-テトラデカエン-3,13,20,30-テトラキス(イリウム)
  • 16,17,33,34,35,36,39,40-octamethyl-3λ5,6,10,13λ5,20λ5,23,27,30λ5-octaazaheptacyclo[30.2.2.215,18.13,6.110,13.120,23.127,30]dotetraconta-1(34),3(42),4,11,13(41),15,17,20(38),21,28,30(37),32,35,39-tetradecaene-3,13,20,30-tetrakis(ylium)
Other name (1)：
  • 6,6′-[Trimethylenebis[[(1H-imidazole-3-ium)-1,3-diyl]methylene]]-[3,3′-[trimethylenebis[[(1H-imidazole-3-ium)-1,3-diyl]methylene]]bis(1,2,4,5-tetramethylbenzene)]
Thsaurus map：
Thesaurus Map

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