Chem
J-GLOBAL ID：200907004530551429
Nikkaji number：J1.169.960J
4,4′-[25,26,27,28-Tetrakis(dodecyloxy)pentacyclo[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-テトラキス(ドデシルオキシ)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]
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
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
Molecular formula： C90H144N12O4
Molecular formula furigana： C90-H144-N12-O4
Molecular weight： 1458.222
InChI：
InChI=1S/C90H144N12O4/c1-7-13-19-23-27-31-35-39-43-47-59-103-81-71-53-51-54-72(81)64-76-68-80(96-90-100-86(92)98-88(102-90)94-58-18-12-6)70-78(84(76)106-62-50-46-42-38-34-30-26-22-16-10-4)66-74-56-52-55-73(82(74)104-60-48-44-40-36-32-28-24-20-14-8-2)65-77-69-79(95-89-99-85(91)97-87(101-89)93-57-17-11-5)67-75(63-71)83(77)105-61-49-45-41-37-33-29-25-21-15-9-3/h51-56,67-70H,7-50,57-66H2,1-6H3,(H4,91,93,95,97,99,101)(H4,92,94,96,98,100,102)
InChI key：
SQSFXWKUDJRHLE-UHFFFAOYSA-N
SMILES：
CCCCCCCCCCCCOc1c2Cc3cc(Nc4nc(N)nc(NCCCC)n4)cc(Cc4cccc(Cc5cc(Nc6nc(N)nc(NCCCC)n6)cc(Cc1ccc2)c5OCCCCCCCCCCCC)c4OCCCCCCCCCCCC)c3OCCCCCCCCCCCC
Systematic name (3)：
- 4,4′-[25,26,27,28-テトラキス(ドデシルオキシ)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]
- N2-(17-{[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-テトラキス(ドデシルオキシ)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-イル)-N4-ブチル-1,3,5-トリアジン-2,4,6-トリアミン
- N2-(17-{[4-amino-6-(butylamino)-1,3,5-triazin-2-yl]amino}-25,26,27,28-tetrakis(dodecyloxy)pentacyclo[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-dodecaen-5-yl)-N4-butyl-1,3,5-triazine-2,4,6-triamine
- 4,4′-[25,26,27,28-Tetrakis(dodecyloxy)pentacyclo[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]
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