物質
J-GLOBAL ID:200907050070695348   日化辞番号:J1.857.700C

4,5,9,10,14,15,19,20,24,25,29,30-ドデカフルオロ-2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-31,32,33,34,35,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21,23(32),24,26,28-ヘプタデカエン

4,5,9,10,14,15,19,20,24,25,29,30-Dodecafluoro-2,7,12,17,22,27-hexakis(pentafluorophenyl)-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21,23(32),24,26,28-heptadecene
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: C66H2F42N6
分子式フリガナ: C66-H2-F42-N6
分子量: 1676.717
InChI: InChI=1S/C66H2F42N6/c67-13-1(14(68)26(80)37(91)25(13)79)7-55-43(97)45(99)57(109-55)8(2-15(69)27(81)38(92)28(82)16(2)70)59-47(101)49(103)61(111-59)10(4-19(73)31(85)40(94)32(86)20(4)74)63-51(105)53(107)65(113-63)12(6-23(77)35(89)42(96)36(90)24(6)78)66-54(108)52(106)64(114-66)11(5-21(75)33(87)41(95)34(88)22(5)76)62-50(104)48(102)60(112-62)9(58-46(100)44(98)56(7)110-58)3-17(71)29(83)39(93)30(84)18(3)72/h109,112H/b55-7-,56-7-,57-8-,58-9-,59-8-,60-9-,61-10-,62-11-,63-10-,64-11+,65-12-,66-12+
InChI key: OHVLZFPYVCVRKM-DGZDCBEWSA-N
SMILES: FC1=C(F)C2=N/C/1=C(/c1c(F)c(F)c(F)c(F)c1F)\C1=N/C(=C(\c3c(F)c(F)c(F)c(F)c3F)/c3[nH]c(c(F)c3F)/C(=C/3\N=C(C(=C3F)F)/C(=c/3\[nH]/c(=C(/c4c(F)c(F)c(F)c(F)c4F)\C4=N/C(=C\2/c2c(F)c(F)c(F)c(F)c2F)/C(=C4F)F)/c(F)c3F)/c2c(F)c(F)c(F)c(F)c2F)/c2c(F)c(F)c(F)c(F)c2F)/C(=C1F)F
体系名 (3件):
  • 4,5,9,10,14,15,19,20,24,25,29,30-ドデカフルオロ-2,7,12,17,22,27-ヘキサキス(ペンタフルオロフェニル)-31,32,33,34,35,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21,23(32),24,26,28-ヘプタデカエン
  • 4,5,9,10,14,15,19,20,24,25,29,30-ドデカフルオロ-2,7,12,17,22,27-ヘキサキス(2,3,4,5,6-ペンタフルオロフェニル)-31,32,33,34,35,36-ヘキサアザヘプタシクロ[26.2.1.13,6.18,11.113,16.118,21.123,26]ヘキサトリアコンタ-1,3,5,7,9,11(35),12,14,16,18(33),19,21,23(32),24,26,28(31),29-ヘプタデカエン
  • 4,5,9,10,14,15,19,20,24,25,29,30-dodecafluoro-2,7,12,17,22,27-hexakis(2,3,4,5,6-pentafluorophenyl)-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1,3,5,7,9,11(35),12,14,16,18(33),19,21,23(32),24,26,28(31),29-heptadecaene
その他の名称 (1件):
  • 4,5,9,10,14,15,19,20,24,25,29,30-Dodecafluoro-2,7,12,17,22,27-hexakis(pentafluorophenyl)-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17,19,21,23(32),24,26,28-heptadecene
シソーラスmap:

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