Chem
J-GLOBAL ID：200907055217185750   Nikkaji number：J1.114.195A

5,17-Bis(4-amino-6-butylamino-1,3,5-triazine-2-ylamino)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene

5,17-ビス(4-アミノ-6-ブチルアミノ-1,3,5-トリアジン-2-イルアミノ)-25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C54H72N12O4
Molecular formula furigana： C54-H72-N12-O4
Molecular weight： 953.250
InChI： InChI=1S/C54H72N12O4/c1-7-13-21-57-51-61-49(55)63-53(65-51)59-43-31-39-27-35-17-15-19-37(45(35)67-23-9-3)29-41-33-44(60-54-64-50(56)62-52(66-54)58-22-14-8-2)34-42(48(41)70-26-12-6)30-38-20-16-18-36(46(38)68-24-10-4)28-40(32-43)47(39)69-25-11-5/h15-20,31-34H,7-14,21-30H2,1-6H3,(H4,55,57,59,61,63,65)(H4,56,58,60,62,64,66)
InChI key： URIPLUYNRKMQGJ-UHFFFAOYSA-N
SMILES： CCCCNc1nc(N)nc(Nc2cc3Cc4cccc(Cc5cc(Nc6nc(N)nc(NCCCC)n6)cc(Cc6cccc(Cc(c2)c3OCCC)c6OCCC)c5OCCC)c4OCCC)n1
Systematic name  (15)：
  • N,N′-ビス[4-アミノ-6-(ブチルアミノ)-1,3,5-トリアジン-2-イル]-25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジアミン
  • 2,2′-(25,26,27,28-テトラキスプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジイルビスイミノ)ビス[4-(ブチルアミノ)-1,3,5-トリアジン-6-アミン]
  • 4,4′-[25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジイルビスイミノ]ビス[6-(ブチルアミノ)-1,3,5-トリアジン-2-アミン]
  • 4,4′-[25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-5,17-ジイルビス(イミノ)]ビス[6-(ブチルアミノ)-1,3,5-トリアジン-2-アミン]
  • 5,17-ビス[2-アミノ-4-(ブチルアミノ)-1,3,5-トリアジン-6-イルアミノ]-25,26,27,28-テトラプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン
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Other name (13)：
  • N,N′-Bis[4-amino-6-(butylamino)-1,3,5-triazine-2-yl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-diamine
  • 2,2′-(25,26,27,28-Tetrakispropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-diylbisimino)bis[4-(butylamino)-1,3,5-triazine-6-amine]
  • 4,4′-[25,26,27,28-Tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-diylbisimino]bis[6-(butylamino)-1,3,5-triazine-2-amine]
  • 4,4′-[25,26,27,28-Tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-5,17-diylbis(imino)]bis[6-(butylamino)-1,3,5-triazine-2-amine]
  • 5,17-Bis[2-amino-4-(butylamino)-1,3,5-triazine-6-ylamino]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene
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