Chem
J-GLOBAL ID：201207005859524017   Nikkaji number：J3.103.528G

1,4-[3,5-Dimethyl-4,4-difluoro-6,7-diethyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]-1,4-[3,5-dimethyl-4,4-difluoro-6,7-diethyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-2,1-diyl]butane

1,4-[3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-1,2-ジイル]-1,4-[3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-2,1-ジイル]ブタン
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： C34H40B2F4N2[N+]2
Molecular formula furigana： C34-H40-B2-F4-N4
Molecular weight： 602.330
InChI： InChI=1S/C34H40B2F4N4/c1-9-21-17(5)41-27(23(21)11-3)15-29-33-25-13-14-26(31(33)19(7)43(29)35(41,37)38)34-30-16-28-24(12-4)22(10-2)18(6)42(28)36(39,40)44(30)20(8)32(25)34/h15-16,25-26H,9-14H2,1-8H3/q+2
InChI key： BGASAKYKQIKYEK-UHFFFAOYSA-N
SMILES： CCc1c(C)n2c(C=C3C4=C(C5CCC4C4=C5C5=Cc6c(CC)c(CC)c(C)n6[B](F)(F)[N+]5=C4C)C(=[N+]3[B]2(F)F)C)c1CC
Systematic name  (3)：
  • 1,4-[3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-1,2-ジイル]-1,4-[3,5-ジメチル-4,4-ジフルオロ-6,7-ジエチル-4H-3a-アゾニア-4-ボラ(IV)-4a-アザ-s-インダセン-2,1-ジイル]ブタン
  • 6,7,19,20-テトラエチル-10,10,23,23-テトラフルオロ-8,12,21,25-テトラメチル-9,11λ5,22,24λ5-テトラアザ-10λ4,23λ4-ジボラオクタシクロ[12.12.2.02,13.03,11.05,9.015,26.016,24.018,22]オクタコサ-2(13),3,5,7,11,15(26),16,18,20,24-デカエン-11,24-ビス(イリウム)
  • 6,7,19,20-tetraethyl-10,10,23,23-tetrafluoro-8,12,21,25-tetramethyl-9,11λ5,22,24λ5-tetraaza-10λ4,23λ4-diboraoctacyclo[12.12.2.02,13.03,11.05,9.015,26.016,24.018,22]octacosa-2(13),3,5,7,11,15(26),16,18,20,24-decaene-11,24-bis(ylium)
Other name (1)：
  • 1,4-[3,5-Dimethyl-4,4-difluoro-6,7-diethyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]-1,4-[3,5-dimethyl-4,4-difluoro-6,7-diethyl-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-2,1-diyl]butane
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