Chem
J-GLOBAL ID：200907012814897573   Nikkaji number：J1.698.726C

4,4′-(4,4′′′-Di-tert-butyl-2,2′:6′,2′′:6′′,2′′′-quaterpyridine-4′,4′′-diyl)bis(benzoic acid methyl) ester

4,4′-(4,4′′′-ジ-tert-ブチル-2,2′:6′,2′′:6′′,2′′′-クアテルピリジン-4′,4′′-ジイル)ビス(安息香酸メチル)
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： C44H42N4O4
Molecular formula furigana： C44-H42-N4-O4
Molecular weight： 690.844
InChI： InChI=1S/C44H42N4O4/c1-43(2,3)33-17-19-45-35(25-33)37-21-31(27-9-13-29(14-10-27)41(49)51-7)23-39(47-37)40-24-32(28-11-15-30(16-12-28)42(50)52-8)22-38(48-40)36-26-34(18-20-46-36)44(4,5)6/h9-26H,1-8H3
InChI key： OWXSECFLIQWBGF-UHFFFAOYSA-N
SMILES： COC(=O)c1ccc(cc1)c1cc(nc(c1)c1cc(cc(n1)c1cc(ccn1)C(C)(C)C)c1ccc(cc1)C(=O)OC)c1cc(ccn1)C(C)(C)C
Systematic name  (3)：
  • 4,4′-(4,4′′′-ジ-tert-ブチル-2,2′:6′,2′′:6′′,2′′′-クアテルピリジン-4′,4′′-ジイル)ビス(安息香酸メチル)
  • メチル 4-(4'-tert-ブチル-6-{4'-tert-ブチル-4-[4-(メトキシカルボニル)フェニル]-[2,2'-ビピリジン]-6-イル}-[2,2'-ビピリジン]-4-イル)ベンゾアート
  • methyl 4-(4'-tert-butyl-6-{4'-tert-butyl-4-[4-(methoxycarbonyl)phenyl]-[2,2'-bipyridin]-6-yl}-[2,2'-bipyridin]-4-yl)benzoate
Other name (1)：
  • 4,4′-(4,4′′′-Di-tert-butyl-2,2′:6′,2′′:6′′,2′′′-quaterpyridine-4′,4′′-diyl)bis(benzoic acid methyl) ester
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