Chem
J-GLOBAL ID:200907027785321559   Nikkaji number:J979.630D

5,11,17,23-Tetra-tert-butyl-26,28-bis[3-[4-(4-pyridinyl)pyridinio]propoxy]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-25,27-diol

5,11,17,23-テトラ-tert-ブチル-26,28-ビス[3-[4-(4-ピリジニル)ピリジニオ]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-25,27-ジオール
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: C70H82N2[N+]2O4
Molecular formula furigana: C70-H82-N4-O4
Molecular weight: 1043.449
InChI: InChI=1S/C70H80N4O4/c1-67(2,3)59-39-51-35-55-43-61(69(7,8)9)45-57(65(55)77-33-13-27-73-29-19-49(20-30-73)47-15-23-71-24-16-47)37-53-41-60(68(4,5)6)42-54(64(53)76)38-58-46-62(70(10,11)12)44-56(36-52(40-59)63(51)75)66(58)78-34-14-28-74-31-21-50(22-32-74)48-17-25-72-26-18-48/h15-26,29-32,39-46H,13-14,27-28,33-38H2,1-12H3/p+2
InChI key: QVPZNRVZASNXEH-UHFFFAOYSA-P
SMILES: CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2O)c5OCCC[n+]1ccc(cc1)c1ccncc1)C(C)(C)C)c4O)C(C)(C)C)c3OCCC[n+]1ccc(cc1)c1ccncc1)C(C)(C)C
Systematic name  (4):
  • 1,1′′-(5,11,17,23-テトラ-tert-ブチル-26,28-ジヒドロキシペンタシクロ[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-25,27-ジイル)ビス(オキシ)ビス(3,1-プロパンジイル)ビス(4,4′-ビピリジン-1-イウム)
  • 5,11,17,23-テトラ-tert-ブチル-26,28-ビス[3-[4-(4-ピリジニル)ピリジニオ]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-25,27-ジオール
  • 1-(3-{[27-(3-{[4,4'-ビピリジン]-1-イウム-1-イル}プロポキシ)-5,11,17,23-テトラ-tert-ブチル-26,28-ジヒドロキシペンタシクロ[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-25-イル]オキシ}プロピル)-[4,4'-ビピリジン]-1-イウム
  • 1-(3-{[27-(3-{[4,4'-bipyridin]-1-ium-1-yl}propoxy)-5,11,17,23-tetra-tert-butyl-26,28-dihydroxypentacyclo[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-25-yl]oxy}propyl)-[4,4'-bipyridin]-1-ium
Other name (2):
  • 1,1′′-(5,11,17,23-Tetra-tert-butyl-26,28-dihydroxypentacyclo[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-25,27-diyl)bis(oxy)bis(3,1-propanediyl)bis(4,4′-bipyridine-1-ium)
  • 5,11,17,23-Tetra-tert-butyl-26,28-bis[3-[4-(4-pyridinyl)pyridinio]propoxy]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-25,27-diol
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