Chem
J-GLOBAL ID:200907049235961678   Nikkaji number:J1.561.438B

7,7′-(Trimethylenebiscarbonyl)bis[1,4-bis(7-chloro-4-quinolyl)-1,4,7-triazacyclononane]

1,5-ビス[4,7-ビス(7-クロロキノリン-4-イル)-1,4,7-トリアゾナン-1-イル]ペンタン-1,5-ジオン
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: C53H50Cl4N10O2
Molecular formula furigana: C53-H50-CL4-N10-O2
Molecular weight: 1000.850
InChI: InChI=1S/C53H50Cl4N10O2/c54-36-4-8-40-44(32-36)58-16-12-48(40)62-20-21-63(49-13-17-59-45-33-37(55)5-9-41(45)49)25-29-66(28-24-62)52(68)2-1-3-53(69)67-30-26-64(50-14-18-60-46-34-38(56)6-10-42(46)50)22-23-65(27-31-67)51-15-19-61-47-35-39(57)7-11-43(47)51/h4-19,32-35H,1-3,20-31H2
InChI key: PBANFAOTZWLGQS-UHFFFAOYSA-N
SMILES: Clc1ccc2c(ccnc2c1)N1CCN(CCN(CC1)c1ccnc2cc(Cl)ccc12)C(=O)CCCC(=O)N1CCN(CCN(CC1)c1ccnc2cc(Cl)ccc12)c1ccnc2cc(Cl)ccc12
Systematic name  (3):
  • 7,7′-(トリメチレンビスカルボニル)ビス[1,4-ビス(7-クロロ-4-キノリル)-1,4,7-トリアザシクロノナン]
  • 1,5-ビス[4,7-ビス(7-クロロキノリン-4-イル)-1,4,7-トリアゾナン-1-イル]ペンタン-1,5-ジオン
  • 1,5-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]pentane-1,5-dione
Other name (1):
  • 7,7′-(Trimethylenebiscarbonyl)bis[1,4-bis(7-chloro-4-quinolyl)-1,4,7-triazacyclononane]
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