Chem
J-GLOBAL ID：201207069982223496   Nikkaji number：J3.103.529E

1,4-[3,5-Dimethyl-4,4-difluoro-6,7-(5-cyclohexene-1,4-diyl)-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]-1,4-[3,5-dimethyl-4,4-difluoro-6,7-(5-cyclohexene-1,4-diyl)-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-(5-シクロヘキセン-1,4-ジイル)-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-(5-シクロヘキセン-1,4-ジイル)-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： C38H36B2F4N2[N+]2
Molecular formula furigana： C38-H36-B2-F4-N4
Molecular weight： 646.350
InChI： InChI=1S/C38H36B2F4N4/c1-17-31-21-5-9-23(10-6-21)35(31)27-15-29-37-26-14-13-25(33(37)19(3)47(29)39(41,42)45(17)27)38-30-16-28-36-24-11-7-22(8-12-24)32(36)18(2)46(28)40(43,44)48(30)20(4)34(26)38/h5,7,9,11,15-16,21-26H,6,8,10,12-14H2,1-4H3/q+2
InChI key： ADTCNSJBKKLZGQ-UHFFFAOYSA-N
SMILES： CC1=[N+]2C(=Cc3c4C5CCC(C=C5)c4c(C)n3[B]2(F)F)C2=C1C1CCC2C2=C1C1=Cc3c4C5CCC(C=C5)c4c(C)n3[B](F)(F)[N+]1=C2C
Systematic name  (3)：
  • 1,4-[3,5-ジメチル-4,4-ジフルオロ-6,7-(5-シクロヘキセン-1,4-ジイル)-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-(5-シクロヘキセン-1,4-ジイル)-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
  • 14,14,31,31-テトラフルオロ-12,16,29,33-テトラメチル-13,15λ5,30,32λ5-テトラアザ-14λ4,31λ4-ジボラドデカシクロ[16.16.2.27,10.224,27.02,17.03,15.05,13.06,11.019,34.020,32.022,30.023,28]テトラコンタ-2(17),3,5,8,11,15,19(34),20,22,25,28,32-ドデカエン-15,32-ビス(イリウム)
  • 14,14,31,31-tetrafluoro-12,16,29,33-tetramethyl-13,15λ5,30,32λ5-tetraaza-14λ4,31λ4-diboradodecacyclo[16.16.2.27,10.224,27.02,17.03,15.05,13.06,11.019,34.020,32.022,30.023,28]tetraconta-2(17),3,5,8,11,15,19(34),20,22,25,28,32-dodecaene-15,32-bis(ylium)
Other name (1)：
  • 1,4-[3,5-Dimethyl-4,4-difluoro-6,7-(5-cyclohexene-1,4-diyl)-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-1,2-diyl]-1,4-[3,5-dimethyl-4,4-difluoro-6,7-(5-cyclohexene-1,4-diyl)-4H-3a-azonia-4-bora(IV)-4a-aza-s-indacene-2,1-diyl]butane
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