Chem
J-GLOBAL ID：201607014365889410   Nikkaji number：J3.526.109E

2,6,10-Tri(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-4,8,12-trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation

2,6,10-トリ(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-4,8,12-トリオクチル-4,8,12-トリアザ-8,12c-ジヒドロ-4H,12H-ジベンゾ[cd,mn]ピレン-12c-カチオン
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： C60[C+]H93B3N3O6
Molecular formula furigana： C61-H93-B3-N3-O6
Molecular weight： 996.860
InChI： InChI=1S/C61H93B3N3O6/c1-16-19-22-25-28-31-34-65-46-37-43(62-68-56(4,5)57(6,7)69-62)39-48-52(46)55-53-47(65)38-44(63-70-58(8,9)59(10,11)71-63)40-49(53)67(36-33-30-27-24-21-18-3)51-42-45(64-72-60(12,13)61(14,15)73-64)41-50(54(51)55)66(48)35-32-29-26-23-20-17-2/h37-42H,16-36H2,1-15H3/q+1
InChI key： KYRZTKWEHKGFFJ-UHFFFAOYSA-N
SMILES： CCCCCCCCn1c2cc(cc3n(CCCCCCCC)c4cc(cc5n(CCCCCCCC)c6cc(cc1c6[C+](c23)c45)B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1)B1OC(C)(C)C(C)(C)O1
Systematic name  (3)：
  • 2,6,10-トリ(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-4,8,12-トリオクチル-4,8,12-トリアザ-8,12c-ジヒドロ-4H,12H-ジベンゾ[cd,mn]ピレン-12c-カチオン
  • 8,14,22-トリオクチル-5,11,17-トリス(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-8,14,22-トリアザヘキサシクロ[11.7.1.13,19.02,7.09,21.015,20]ドコサ-2,4,6,9(21),10,12,15(20),16,18-ノナエン-1-イリウム
  • 8,14,22-trioctyl-5,11,17-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-8,14,22-triazahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-1-ylium
Other name (1)：
  • 2,6,10-Tri(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-4,8,12-trioctyl-4,8,12-triaza-8,12c-dihydro-4H,12H-dibenzo[cd,mn]pyrene-12c-cation
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