物質
J-GLOBAL ID：200907029627961195   日化辞番号：J2.257.498A

1,21-[2,5-(2,3,5,6-2H4)シクロヘキサジエン-1,4-ジイリデン]-6,11,16,26,31,36-ヘキサキス(ペンタフルオロフェニル)-2,5:17,20:22,25:37,40-テトラエピミノ-7,10:15,12:27,30:35,32-テトラエピミノシクロテトラコンタン-2,4,6,8,13,15,17,19,22,24,26,28,33,35,37,39-ヘキサデカエン

1,21-[2,5-(2,3,5,6-2H4)Cyclohexadiene-1,4-diylidene]-6,11,16,26,31,36-hexakis(pentafluorophenyl)-2,5:17,20:22,25:37,40-tetraepimino-7,10:15,12:27,30:35,32-tetraepiminocyclotetracontane-2,4,6,8,13,15,17,19,22,24,26,28,33,35,37,39-hexadecaene
物質タイプ：
物質タイプ
物質タイプは以下の３種類に大別されています。
構造情報あり：構造が明確な物質
構造不確定等：構造が不明または未定の物質
混合物等：混合物、ラセミ化合物や、相対立体配置をもつ化合物等
構造情報あり
分子式： C82H30[2H]4F30N8
分子式フリガナ： C82-H34-F30-N8
分子量： 1705.207
InChI： InChI=1S/C82H34F30N8/c83-53-47(54(84)66(96)77(107)65(53)95)41-27-9-5-23(113-27)39-21-1-2-22(4-3-21)40(25-7-11-29(115-25)43(49-57(87)69(99)79(109)70(100)58(49)88)33-15-19-37(119-33)45(35-17-13-31(41)117-35)51-61(91)73(103)81(111)74(104)62(51)92)26-8-12-30(116-26)44(50-59(89)71(101)80(110)72(102)60(50)90)34-16-20-38(120-34)46(52-63(93)75(105)82(112)76(106)64(52)94)36-18-14-32(118-36)42(28-10-6-24(39)114-28)48-55(85)67(97)78(108)68(98)56(48)86/h1-20,35-38,45-46,113-120H/b39-21-,40-22-,41-31?,42-32?,43-33?,44-34?/i1D,2D,3D,4D
InChI key： STMDOZRLKXCMAS-XJZJFKPOSA-N
SMILES： c1([2H])c([2H])/c/2=C\3/c4ccc([nH]4)C(=C4NC(C=C4)C(C4NC(=C(c5ccc([nH]5)/C(=c/1\c([2H])c2[2H])/c1ccc([nH]1)C(=C1NC(C=C1)C(C1NC(=C(c2ccc3[nH]2)c2c(F)c(F)c(F)c(F)c2F)C=C1)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)C=C4)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
体系名 (3件)：
  • 1,21-[2,5-(2,3,5,6-2H4)シクロヘキサジエン-1,4-ジイリデン]-6,11,16,26,31,36-ヘキサキス(ペンタフルオロフェニル)-2,5:17,20:22,25:37,40-テトラエピミノ-7,10:15,12:27,30:35,32-テトラエピミノシクロテトラコンタン-2,4,6,8,13,15,17,19,22,24,26,28,33,35,37,39-ヘキサデカエン
  • 6,11,16,26,31,36-ヘキサキス(2,3,4,5,6-ペンタフルオロフェニル)(42,43,45,46-2H4)-47,48,49,50,51,52,53,54-オクタアザウンデカシクロ[19.19.4.241,44.12,5.17,10.112,15.117,20.122,25.127,30.132,35.137,40]テトラペンタコンタ-1(41),2,4,6,8,13,15,17,19,21(44),22,24,26,28,33,35,37,39,42,45-イコサエン
  • 6,11,16,26,31,36-hexakis(2,3,4,5,6-pentafluorophenyl)(42,43,45,46-2H4)-47,48,49,50,51,52,53,54-octaazaundecacyclo[19.19.4.241,44.12,5.17,10.112,15.117,20.122,25.127,30.132,35.137,40]tetrapentaconta-1(41),2,4,6,8,13,15,17,19,21(44),22,24,26,28,33,35,37,39,42,45-icosaene
その他の名称 (1件)：
  • 1,21-[2,5-(2,3,5,6-2H4)Cyclohexadiene-1,4-diylidene]-6,11,16,26,31,36-hexakis(pentafluorophenyl)-2,5:17,20:22,25:37,40-tetraepimino-7,10:15,12:27,30:35,32-tetraepiminocyclotetracontane-2,4,6,8,13,15,17,19,22,24,26,28,33,35,37,39-hexadecaene
シソーラスmap：
シソーラスmap

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