Chem
J-GLOBAL ID:200907000231845216   Nikkaji number:J1.656.615B

4,4′′′′-[[3,3,3′,3′-Tetramethylspiro[indan-1,1′-indan]-6,6′-diyl]bisoxy]-4′′′,4′′′′′′′-[[3,3,3′,3′-tetramethylspiro[indan-1,1′-indan]-6,6′-diyl]bisoxy]bis[3,3′′′-bis(trifluoromethyl)-1,1′:4′,1′′:4′′,1′′′-quaterbenzene]

4,4′′′′-[[3,3,3′,3′-テトラメチルスピロ[インダン-1,1′-インダン]-6,6′-ジイル]ビスオキシ]-4′′′,4′′′′′′′-[[3,3,3′,3′-テトラメチルスピロ[インダン-1,1′-インダン]-6,6′-ジイル]ビスオキシ]ビス[3,3′′′-ビス(トリフルオロメチル)-1,1′:4′,1′′:4′′,1′′′-クアテルベンゼン]
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: C94H72F12O4
Molecular formula furigana: C94-H72-F12-O4
Molecular weight: 1493.587
InChI: InChI=1S/C94H72F12O4/c1-85(2)49-89-50-86(3,4)70-34-30-66(46-74(70)89)108-82-38-26-62(42-78(82)92(98,99)100)58-19-11-54(12-20-58)56-15-23-60(24-16-56)64-28-40-84(80(44-64)94(104,105)106)110-68-32-36-72-76(48-68)90(52-88(72,7)8)51-87(5,6)71-35-31-67(47-75(71)90)109-83-39-27-63(43-79(83)93(101,102)103)59-21-13-55(14-22-59)53-9-17-57(18-10-53)61-25-37-81(77(41-61)91(95,96)97)107-65-29-33-69(85)73(89)45-65/h9-48H,49-52H2,1-8H3
InChI key: OGWNGFPVAYEFOK-UHFFFAOYSA-N
SMILES: CC1(C)CC23CC(C)(C)c4ccc(Oc5ccc(cc5C(F)(F)F)c5ccc(cc5)c5ccc(cc5)c5ccc(Oc6ccc7c(c6)C6(CC(C)(C)c8ccc(Oc9ccc(cc9C(F)(F)F)c9ccc(cc9)c9ccc(cc9)c9ccc(Oc%10ccc1c2c%10)c(c9)C(F)(F)F)cc68)CC7(C)C)c(c5)C(F)(F)F)cc34
Systematic name  (3):
  • 4,4′′′′-[[3,3,3′,3′-テトラメチルスピロ[インダン-1,1′-インダン]-6,6′-ジイル]ビスオキシ]-4′′′,4′′′′′′′-[[3,3,3′,3′-テトラメチルスピロ[インダン-1,1′-インダン]-6,6′-ジイル]ビスオキシ]ビス[3,3′′′-ビス(トリフルオロメチル)-1,1′:4′,1′′:4′′,1′′′-クアテルベンゼン]
  • 3,3,30,30,34,34,61,61-オクタメチル-65,72,77,84-テトラキス(トリフルオロメチル)-8,25,39,56-テトラオキサヘプタデカシクロ[55.2.5.24,7.29,12.213,16.217,20.221,24.226,29.235,38.240,43.244,47.248,51.252,55.01,5.028,32.032,36.059,62]ヘキサオクタコンタ-4(86),5,7(85),9,11,13,15,17,19,21,23,26(76),27,29(75),35(74),36,38(73),40,42,44,46,48,50,52,54,57(64),58,62,65,67,69,71,77,79,81,83-ヘキサトリアコンタエン
  • 3,3,30,30,34,34,61,61-octamethyl-65,72,77,84-tetrakis(trifluoromethyl)-8,25,39,56-tetraoxaheptadecacyclo[55.2.5.24,7.29,12.213,16.217,20.221,24.226,29.235,38.240,43.244,47.248,51.252,55.01,5.028,32.032,36.059,62]hexaoctaconta-4(86),5,7(85),9,11,13,15,17,19,21,23,26(76),27,29(75),35(74),36,38(73),40,42,44,46,48,50,52,54,57(64),58,62,65,67,69,71,77,79,81,83-hexatriacontaene
Other name (1):
  • 4,4′′′′-[[3,3,3′,3′-Tetramethylspiro[indan-1,1′-indan]-6,6′-diyl]bisoxy]-4′′′,4′′′′′′′-[[3,3,3′,3′-tetramethylspiro[indan-1,1′-indan]-6,6′-diyl]bisoxy]bis[3,3′′′-bis(trifluoromethyl)-1,1′:4′,1′′:4′′,1′′′-quaterbenzene]
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