Chem
J-GLOBAL ID：200907017749398159   Nikkaji number：J2.701.502F

N,N′′′-(1,3-Phenylene)-N′,N′′′′-(1,3-phenylene)-N′′,N′′′′′-(1,3-phenylene)tris(6-methoxy-1,3,5-triazine-2,4-diamine)

N,N′′′-(1,3-フェニレン)-N′,N′′′′-(1,3-フェニレン)-N′′,N′′′′′-(1,3-フェニレン)トリス(6-メトキシ-1,3,5-トリアジン-2,4-ジアミン)
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： C30H27N15O3
Molecular formula furigana： C30-H27-N15-O3
Molecular weight： 645.648
InChI： InChI=1S/C30H27N15O3/c1-46-28-40-22-31-16-7-4-9-18(13-16)33-24-38-26(44-29(42-24)47-2)35-20-11-6-12-21(15-20)36-27-39-25(43-30(45-27)48-3)34-19-10-5-8-17(14-19)32-23(37-22)41-28/h4-15H,1-3H3,(H2,31,32,37,40,41)(H2,33,35,38,42,44)(H2,34,36,39,43,45)
InChI key： HVDGGAQNGHNFDT-UHFFFAOYSA-N
SMILES： COc1nc2nc(n1)Nc1cccc(c1)Nc1nc(OC)nc(n1)Nc1cccc(c1)Nc1nc(OC)nc(n1)Nc1cccc(c1)N2
Systematic name  (3)：
  • N,N′′′-(1,3-フェニレン)-N′,N′′′′-(1,3-フェニレン)-N′′,N′′′′′-(1,3-フェニレン)トリス(6-メトキシ-1,3,5-トリアジン-2,4-ジアミン)
  • 5,17,29-トリメトキシ-2,4,6,8,14,16,18,20,26,28,30,32,38,40,42-ペンタデカアザヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33,35-オクタデカエン
  • 5,17,29-trimethoxy-2,4,6,8,14,16,18,20,26,28,30,32,38,40,42-pentadecaazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27(38),28,30,33,35-octadecaene
Other name (1)：
  • N,N′′′-(1,3-Phenylene)-N′,N′′′′-(1,3-phenylene)-N′′,N′′′′′-(1,3-phenylene)tris(6-methoxy-1,3,5-triazine-2,4-diamine)
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