物質
J-GLOBAL ID：200907049717538152   日化辞番号：J2.764.701D

9,19-[2,6-ピリジンジイルビス[[8,10,18,20,28,30,31,32,33,34,35,36-ドデカアザヘプタシクロ[25.3.1.12,6.17,11.112,16.117,21.122,26]ヘキサトリアコンタン-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-オクタデカエン-9,29-ジイル](2,6-ピリジンジイル)]]-8,10,18,20,28,30,31,32,33,34,35,36-ドデカアザヘプタシクロ[25.3.1.12,6.17,11.112,16.117,21.122,26]ヘキサトリアコンタン-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-オクタデカエン

9,19-[2,6-Pyridinediylbis[[8,10,18,20,28,30,31,32,33,34,35,36-dodecaazaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriacontane-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-octadecaene-9,29-diyl](2,6-pyridinediyl)]]-8,10,18,20,28,30,31,32,33,34,35,36-dodecaazaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriacontane-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-octadecaene
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： C87H39N39
分子式フリガナ： C87-H39-N39
分子量： 1630.542
InChI： InChI=1S/C87H39N39/c1-13-40-64-88-37-89-65(106-64)41-14-2-20-47(95-41)71-110-77-53-26-7-25-52(100-53)76-109-70(46(19-1)94-40)115-82(121-76)58-31-10-32-59(103-58)83-117-72-48-21-3-15-42(96-48)66-90-38-91-67(107-66)43-16-4-22-49(97-43)73-112-79(55-28-8-27-54(101-55)78(111-72)123-83)124-86(119-73)62-35-12-36-63(105-62)87-120-75-51-24-6-18-45(99-51)69-93-39-92-68(108-69)44-17-5-23-50(98-44)74-113-80(56-29-9-30-57(102-56)81(114-75)126-87)125-85(118-74)61-34-11-33-60(104-61)84(116-71)122-77/h1-39H
InChI key： HUZJZEHZRHCMJC-UHFFFAOYSA-N
SMILES： c1cc2nc(c1)c1nc3nc(n1)c1cccc(n1)c1nc4nc(n1)c1cccc(n1)c1nc(nc(n1)c1cccc(n1)c1nc5nc(n1)c1cccc(n1)c1nc(nc(n1)c1cccc(n1)c1nc(nc(n1)c1cccc3n1)c1cccc(n1)c1ncnc2n1)c1cccc(n1)c1ncnc(n1)c1cccc5n1)c1cccc(n1)c1ncnc(n1)c1cccc4n1
体系名 (3件)：
  • 9,19-[2,6-ピリジンジイルビス[[8,10,18,20,28,30,31,32,33,34,35,36-ドデカアザヘプタシクロ[25.3.1.12,6.17,11.112,16.117,21.122,26]ヘキサトリアコンタン-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-オクタデカエン-9,29-ジイル](2,6-ピリジンジイル)]]-8,10,18,20,28,30,31,32,33,34,35,36-ドデカアザヘプタシクロ[25.3.1.12,6.17,11.112,16.117,21.122,26]ヘキサトリアコンタン-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-オクタデカエン
  • 2,4,6,13,15,23,25,33,35,43,45,53,55,63,65,73,75,83,85,92,93,94,95,101,102,108,109,110,111,112,113,119,120,121,122,123,124,125,126-ノナトリアコンタアザペンタコサシクロ[3.1.85.53,74.514,34.544,64.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,46.147,51.152,56.157,61.162,66.167,71.172,76.177,81.182,86.187,91.196,100.1103,107.1114,118]126nea-1,3,5,7,9,11(123),12(122),13,15,17(121),18,20,22(120),23,25,27(119),28,30,32(113),33,35,37,39,41(112),42(111),43,45,47(110),48,50,52(109),53,55,57(108),58,60,62(102),63,65,67,69,71(101),72,74,76(95),77(94),78,80,82,84,86(93),87,89,91,96,98,100(126),103(125),104,106,114(124),115,117-トリヘキサコンタエン
  • 2,4,6,13,15,23,25,33,35,43,45,53,55,63,65,73,75,83,85,92,93,94,95,101,102,108,109,110,111,112,113,119,120,121,122,123,124,125,126-nonatriacontaazapentacosacyclo[3.1.85.53,74.514,34.544,64.17,11.112,16.117,21.122,26.127,31.132,36.137,41.142,46.147,51.152,56.157,61.162,66.167,71.172,76.177,81.182,86.187,91.196,100.1103,107.1114,118]126nea-1,3,5,7,9,11(123),12(122),13,15,17(121),18,20,22(120),23,25,27(119),28,30,32(113),33,35,37,39,41(112),42(111),43,45,47(110),48,50,52(109),53,55,57(108),58,60,62(102),63,65,67,69,71(101),72,74,76(95),77(94),78,80,82,84,86(93),87,89,91,96,98,100(126),103(125),104,106,114(124),115,117-trihexacontaene
その他の名称 (1件)：
  • 9,19-[2,6-Pyridinediylbis[[8,10,18,20,28,30,31,32,33,34,35,36-dodecaazaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriacontane-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-octadecaene-9,29-diyl](2,6-pyridinediyl)]]-8,10,18,20,28,30,31,32,33,34,35,36-dodecaazaheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriacontane-1(30),2(36),3,5,7(35),8,10,12(34),13,15,17(33),18,20,22(32),23,25,27(31),28-octadecaene
シソーラスmap：
シソーラスmap

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