Chem
J-GLOBAL ID：201407051280488392   Nikkaji number：J3.329.984B

7,7′-(1,3-Xylylene)bis[3,11-diisopropyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadecane-1(17),13,15-triene]

7,7′-(1,3-キシリレン)ビス[3,11-ジイソプロピル-3,7,11,17-テトラアザビシクロ[11.3.1]ヘプタデカン-1(17),13,15-トリエン]
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： C46H74N8
Molecular formula furigana： C46-H74-N8
Molecular weight： 739.154
InChI： InChI=1S/C46H74N8/c1-37(2)51-26-12-22-49(23-13-27-52(38(3)4)34-44-19-10-18-43(33-51)47-44)31-41-16-9-17-42(30-41)32-50-24-14-28-53(39(5)6)35-45-20-11-21-46(48-45)36-54(40(7)8)29-15-25-50/h9-11,16-21,30,37-40H,12-15,22-29,31-36H2,1-8H3
InChI key： PHDPEJOYMNONHJ-UHFFFAOYSA-N
SMILES： CC(C)N1CCCN(Cc2cccc(CN3CCCN(Cc4cccc(CN(CCC3)C(C)C)n4)C(C)C)c2)CCCN(Cc2cccc(C1)n2)C(C)C
Systematic name  (3)：
  • 7,7′-(1,3-キシリレン)ビス[3,11-ジイソプロピル-3,7,11,17-テトラアザビシクロ[11.3.1]ヘプタデカン-1(17),13,15-トリエン]
  • 7-[(3-{[3,11-ビス(プロパン-2-イル)-3,7,11,17-テトラアザビシクロ[11.3.1]ヘプタデカ-1(17),13,15-トリエン-7-イル]メチル}フェニル)メチル]-3,11-ビス(プロパン-2-イル)-3,7,11,17-テトラアザビシクロ[11.3.1]ヘプタデカ-1(17),13,15-トリエン
  • 7-[(3-{[3,11-bis(propan-2-yl)-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-yl]methyl}phenyl)methyl]-3,11-bis(propan-2-yl)-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene
Other name (1)：
  • 7,7′-(1,3-Xylylene)bis[3,11-diisopropyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadecane-1(17),13,15-triene]
Thsaurus map：
Thesaurus Map

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