Chem
J-GLOBAL ID：201807010865894134   Nikkaji number：J3.718.217F

N,N′,N′′-Tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-1α,3α,5α-cyclohexanetricarboxamide

N1,N3,N5-トリス[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]シクロヘキサン-1,3,5-トリカルボキサミド
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： C45H60B3N3O9
Molecular formula furigana： C45-H60-B3-N3-O9
Molecular weight： 819.420
InChI： InChI=1S/C45H60B3N3O9/c1-40(2)41(3,4)56-46(55-40)31-13-19-34(20-14-31)49-37(52)28-25-29(38(53)50-35-21-15-32(16-22-35)47-57-42(5,6)43(7,8)58-47)27-30(26-28)39(54)51-36-23-17-33(18-24-36)48-59-44(9,10)45(11,12)60-48/h13-24,28-30H,25-27H2,1-12H3,(H,49,52)(H,50,53)(H,51,54)
InChI key： XIVSVRJIDFINIZ-UHFFFAOYSA-N
SMILES： CC1(C)OB(OC1(C)C)c1ccc(NC(=O)C2C[C@@H](CC(C2)C(=O)Nc2ccc(cc2)B2OC(C)(C)C(C)(C)O2)C(=O)Nc2ccc(cc2)B2OC(C)(C)C(C)(C)O2)cc1
Systematic name  (3)：
  • N,N′,N′′-トリス[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]-1α,3α,5α-シクロヘキサントリカルボアミド
  • N1,N3,N5-トリス[4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)フェニル]シクロヘキサン-1,3,5-トリカルボキサミド
  • N1,N3,N5-tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexane-1,3,5-tricarboxamide
Other name (1)：
  • N,N′,N′′-Tris[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-1α,3α,5α-cyclohexanetricarboxamide
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