物質
J-GLOBAL ID:200907027331804628   日化辞番号:J2.060.037C

7,8,12,13,24,25,29,30,41,42,46,47-ドデカエチル-10,27,44-トリフェニル-54,55,60,61,66,67-ヘキサアザトリデカシクロ[47.2.2.22,5.215,18.219,22.232,35.236,39.16,9.111,14.123,26.128,31.140,43.145,48]ノナヘキサコンタ-1(51),2,4,6,8,10,12,14(66),15,17,19,21,23,25,27,29,31(60),32,34,36,38,40,42,44,46,48(54),49,52,56,58,62,64,68-トリトリアコンタエン

7,8,12,13,24,25,29,30,41,42,46,47-Dodecaethyl-10,27,44-triphenyl-54,55,60,61,66,67-hexaazatridecacyclo[47.2.2.22,5.215,18.219,22.232,35.236,39.16,9.111,14.123,26.128,31.140,43.145,48]nonahexacontane-1(51),2,4,6(67),7,9,11,13,15,17,19,21,23(61),24,26,28,30,32,34,36,38,40(55),41,43,45,47,49,52,56,58,62,64,68-tritriacontene
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: C105H102N6
分子式フリガナ: C105-H102-N6
分子量: 1448.013
InChI: InChI=1S/C105H102N6/c1-13-79-85(19-7)100-91(70-34-28-25-29-35-70)101-86(20-8)80(14-2)95(107-101)74-56-44-66(45-57-74)67-46-58-76(59-47-67)97-83(17-5)89(23-11)104(110-97)93(72-38-32-27-33-39-72)105-90(24-12)84(18-6)99(111-105)78-62-50-69(51-63-78)68-48-60-77(61-49-68)98-82(16-4)88(22-10)103(109-98)92(71-36-30-26-31-37-71)102-87(21-9)81(15-3)96(108-102)75-54-42-65(43-55-75)64-40-52-73(53-41-64)94(79)106-100/h25-63,106,109-110H,13-24H2,1-12H3/b65-64-,67-66-,69-68-,94-73-,95-74-,96-75-,97-76-,98-77-,99-78+,100-91-,101-91-,102-92-,103-92+,104-93-,105-93-
InChI key: ONLMVJQMIUAHFC-PMXRRNBKSA-N
SMILES: CCC1=C(CC)C2=N/C/1=C(/c1ccccc1)\c1[nH]c(c(CC)c1CC)c1ccc(cc1)c1ccc(cc1)C1=N/C(=C(/c3ccccc3)\c3[nH]c(c(CC)c3CC)c3ccc(cc3)c3ccc(cc3)C3=N/C(=C(/c4ccccc4)\c4[nH]c(c(CC)c4CC)c4ccc(cc4)c4ccc2cc4)/C(=C3CC)CC)/C(=C1CC)CC
体系名 (3件):
  • 7,8,12,13,24,25,29,30,41,42,46,47-ドデカエチル-10,27,44-トリフェニル-54,55,60,61,66,67-ヘキサアザトリデカシクロ[47.2.2.22,5.215,18.219,22.232,35.236,39.16,9.111,14.123,26.128,31.140,43.145,48]ノナヘキサコンタン-1(51),2,4,6(67),7,9,11,13,15,17,19,21,23(61),24,26,28,30,32,34,36,38,40(55),41,43,45,47,49,52,56,58,62,64,68-トリトリアコンタエン
  • 7,8,12,13,24,25,29,30,41,42,46,47-ドデカエチル-10,27,44-トリフェニル-54,55,60,61,66,67-ヘキサアザトリデカシクロ[47.2.2.22,5.215,18.219,22.232,35.236,39.16,9.111,14.123,26.128,31.140,43.145,48]ノナヘキサコンタ-1(51),2,4,6,8,10,12,14(66),15,17,19,21,23,25,27,29,31(60),32,34,36,38,40,42,44,46,48(54),49,52,56,58,62,64,68-トリトリアコンタエン
  • 7,8,12,13,24,25,29,30,41,42,46,47-dodecaethyl-10,27,44-triphenyl-54,55,60,61,66,67-hexaazatridecacyclo[47.2.2.22,5.215,18.219,22.232,35.236,39.16,9.111,14.123,26.128,31.140,43.145,48]nonahexaconta-1(51),2,4,6,8,10,12,14(66),15,17,19,21,23,25,27,29,31(60),32,34,36,38,40,42,44,46,48(54),49,52,56,58,62,64,68-tritriacontaene
その他の名称 (1件):
  • 7,8,12,13,24,25,29,30,41,42,46,47-Dodecaethyl-10,27,44-triphenyl-54,55,60,61,66,67-hexaazatridecacyclo[47.2.2.22,5.215,18.219,22.232,35.236,39.16,9.111,14.123,26.128,31.140,43.145,48]nonahexacontane-1(51),2,4,6(67),7,9,11,13,15,17,19,21,23(61),24,26,28,30,32,34,36,38,40(55),41,43,45,47,49,52,56,58,62,64,68-tritriacontene
シソーラスmap:

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