Chem
J-GLOBAL ID：200907091895522789   Nikkaji number：J1.013.964C

6,6′-Ethylenebis[[(2-pyridinylmethyl)imino]methylene][2,2′-[(1,2-dimethylcyclopentane-1α,2β-diyl)bis(methylenenitrilomethylidyne)]bis(4-methylphenol anion)]

6,6′-エチレンビス[[(2-ピリジニルメチル)イミノ]メチレン][2,2′-[(1,2-ジメチルシクロペンタン-1α,2β-ジイル)ビス(メチレンニトリロメチリジン)]ビス(4-メチルフェノールアニオン)]
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： C41H48N6[O-]2
Molecular formula furigana： C41-H48-N6-O2
Molecular weight： 656.876
InChI： InChI=1S/C41H50N6O2/c1-30-18-32-22-42-28-40(3)12-9-13-41(40,4)29-43-23-33-19-31(2)21-35(39(33)49)25-47(27-37-11-6-8-15-45-37)17-16-46(24-34(20-30)38(32)48)26-36-10-5-7-14-44-36/h5-8,10-11,14-15,18-23,48-49H,9,12-13,16-17,24-29H2,1-4H3/p-2/t40-,41-/m1/s1
InChI key： VNQRTPNGLPELLI-GYOJGHLZSA-L
SMILES： Cc1cc2CN(Cc3ccccn3)CCN(Cc3ccccn3)Cc3cc(C)cc(C=NC[C@@]4(C)CCC[C@]4(C)CN=Cc(c1)c2[O-])c3[O-]
Systematic name  (3)：
  • 6,6′-エチレンビス[[(2-ピリジニルメチル)イミノ]メチレン][2,2′-[(1,2-ジメチルシクロペンタン-1α,2β-ジイル)ビス(メチレンニトリロメチリジン)]ビス(4-メチルフェノールアニオン)]
  • (5S,9S)-5,9,15,26-テトラメチル-19,22-ビス[(ピリジン-2-イル)メチル]-3,11,19,22-テトラアザテトラシクロ[22.3.1.113,17.05,9]ノナコサ-1(28),2,11,13,15,17(29),24,26-オクタエン-28,29-ビス(オラート)
  • (5S,9S)-5,9,15,26-tetramethyl-19,22-bis[(pyridin-2-yl)methyl]-3,11,19,22-tetraazatetracyclo[22.3.1.113,17.05,9]nonacosa-1(28),2,11,13,15,17(29),24,26-octaene-28,29-bis(olate)
Other name (1)：
  • 6,6′-Ethylenebis[[(2-pyridinylmethyl)imino]methylene][2,2′-[(1,2-dimethylcyclopentane-1α,2β-diyl)bis(methylenenitrilomethylidyne)]bis(4-methylphenol anion)]
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