Chem
J-GLOBAL ID:201807008330728290
Nikkaji number:J3.718.215J
N,N′,N′′-Tris[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-1,3,5-benzenetricarboxamide
N,N′,N′′-トリス[3-(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]-1,3,5-ベンゼントリカルボアミド
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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:
C45 H54 B3 N3 O9
Molecular formula furigana:
C45-H54-B3-N3-O9
Molecular weight:
813.370
InChI:
InChI=1S/C45H54B3N3O9/c1-40(2)41(3,4)56-46(55-40)31-16-13-19-34(25-31)49-37(52)28-22-29(38(53)50-35-20-14-17-32(26-35)47-57-42(5,6)43(7,8)58-47)24-30(23-28)39(54)51-36-21-15-18-33(27-36)48-59-44(9,10)45(11,12)60-48/h13-27H,1-12H3,(H,49,52)(H,50,53)(H,51,54)
InChI key:
QFZLXWRHTAZDGT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(NC(=O)c2cc(cc(c2)C(=O)Nc2cccc(c2)B2OC(C)(C)C(C)(C)O2)C(=O)Nc2cccc(c2)B2OC(C)(C)C(C)(C)O2)c1
Systematic name (3):
N,N′,N′′-トリス[3-(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]-1,3,5-ベンゼントリカルボアミド
N1,N3,N5-トリス[3-(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]ベンゼン-1,3,5-トリカルボキサミド
N1,N3,N5-tris[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzene-1,3,5-tricarboxamide
Other name (1):
N,N′,N′′-Tris[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)phenyl]-1,3,5-benzenetricarboxamide
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