物質
J-GLOBAL ID：200907012709609139   日化辞番号：J2.257.496E

1,26-[(2,3,5,6-2H4)1,4-フェニレン]-6,11,16,21,31,36,41,46-オクタキス(ペンタフルオロフェニル)-2,5:15,12:22,25:27,30:40,37:47,50-ヘキサエピニトリロ-7,10:17,20:32,35:42,45-テトラエピミノシクロペンタコンタン-1,3,6,8,10,13,15,17,19,21,23,26,28,31,33,35,38,40,42,44,46,48-ドコサエン

1,26-[(2,3,5,6-2H4)1,4-Phenylene]-6,11,16,21,31,36,41,46-octakis(pentafluorophenyl)-2,5:15,12:22,25:27,30:40,37:47,50-hexaepinitrilo-7,10:17,20:32,35:42,45-tetraepiminocyclopentacontane-1,3,6,8,10,13,15,17,19,21,23,26,28,31,33,35,38,40,42,44,46,48-docosaene
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： C104H24[2H]4F40N10
分子式フリガナ： C104-H28-F40-N10
分子量： 2181.399
InChI： InChI=1S/C104H28F40N10/c105-65-57(66(106)82(122)97(137)81(65)121)49-31-9-5-27(145-31)47-25-1-2-26(4-3-25)48(29-7-11-33(147-29)51(59-69(109)85(125)99(139)86(126)70(59)110)37-15-19-41(151-37)55(63-77(117)93(133)103(143)94(134)78(63)118)45-23-21-43(153-45)53(39-17-13-35(49)149-39)61-73(113)89(129)101(141)90(130)74(61)114)30-8-12-34(148-30)52(60-71(111)87(127)100(140)88(128)72(60)112)38-16-20-42(152-38)56(64-79(119)95(135)104(144)96(136)80(64)120)46-24-22-44(154-46)54(62-75(115)91(131)102(142)92(132)76(62)116)40-18-14-36(150-40)50(32-10-6-28(47)146-32)58-67(107)83(123)98(138)84(124)68(58)108/h1-24,149-152H/b47-27-,47-28?,48-29?,48-30-,49-31?,49-35?,50-32-,50-36?,51-33+,51-37?,52-34?,52-38?,53-39+,53-43?,54-40?,54-44+,55-41?,55-45+,56-42+,56-46?/i1D,2D,3D,4D
InChI key： VWNAEZXGIVLKEE-SWKAVQRCSA-N
SMILES： c1([2H])c([2H])c2c([2H])c([2H])c1C1=C3C=CC(=N3)C(=c3ccc(=C(C4=NC(=C(c5ccc(C(=C6C=CC(=N6)C2=C2C=CC(=N2)C(=c2ccc(=C(C6=NC(=C(c7ccc(C(=C8C=CC1=N8)c1c(F)c(F)c(F)c(F)c1F)[nH]7)c1c(F)c(F)c(F)c(F)c1F)C=C6)c1c(F)c(F)c(F)c(F)c1F)[nH]2)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[nH]5)c1c(F)c(F)c(F)c(F)c1F)C=C4)c1c(F)c(F)c(F)c(F)c1F)[nH]3)c1c(F)c(F)c(F)c(F)c1F
体系名 (3件)：
  • 1,26-[(2,3,5,6-2H4)1,4-フェニレン]-6,11,16,21,31,36,41,46-オクタキス(ペンタフルオロフェニル)-2,5:15,12:22,25:27,30:40,37:47,50-ヘキサエピニトリロ-7,10:17,20:32,35:42,45-テトラエピミノシクロペンタコンタン-1,3,6,8,10,13,15,17,19,21,23,26,28,31,33,35,38,40,42,44,46,48-ドコサエン
  • 6,11,16,21,31,36,41,46-オクタキス(2,3,4,5,6-ペンタフルオロフェニル)(52,53,55,56-2H4)-57,58,59,60,61,62,63,64,65,66-デカアザトリデカシクロ[24.24.4.251,54.12,5.17,10.112,15.117,20.122,25.127,30.132,35.137,40.142,45.147,50]ヘキサヘキサコンタ-1,3,5(66),6,8,10,12(64),13,15,17,19,21,23,25(62),26,28,30(61),31,33,35,37(59),38,40,42,44,46,48,50(57),51,53,55-ヘントリアコンタエン
  • 6,11,16,21,31,36,41,46-octakis(2,3,4,5,6-pentafluorophenyl)(52,53,55,56-2H4)-57,58,59,60,61,62,63,64,65,66-decaazatridecacyclo[24.24.4.251,54.12,5.17,10.112,15.117,20.122,25.127,30.132,35.137,40.142,45.147,50]hexahexaconta-1,3,5(66),6,8,10,12(64),13,15,17,19,21,23,25(62),26,28,30(61),31,33,35,37(59),38,40,42,44,46,48,50(57),51,53,55-hentriacontaene
その他の名称 (1件)：
  • 1,26-[(2,3,5,6-2H4)1,4-Phenylene]-6,11,16,21,31,36,41,46-octakis(pentafluorophenyl)-2,5:15,12:22,25:27,30:40,37:47,50-hexaepinitrilo-7,10:17,20:32,35:42,45-tetraepiminocyclopentacontane-1,3,6,8,10,13,15,17,19,21,23,26,28,31,33,35,38,40,42,44,46,48-docosaene
シソーラスmap：
シソーラスmap

前のページに戻る

TOP

BOTTOM