Chem
J-GLOBAL ID：200907029029530287   Nikkaji number：J2.755.973E

4,4′-(2,1,3-Benzothiadiazole-4,7-diyl)bis[N-phenyl-N-[4-[[(2-nitrobenzyl)amino]methyl]phenyl]benzeneamine]

4,4′-(2,1,3-ベンゾチアジアゾール-4,7-ジイル)ビス[N-フェニル-N-[4-[[(2-ニトロベンジル)アミノ]メチル]フェニル]ベンゼンアミン]
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： C58H46N6[N+]2O2[O-]2S
Molecular formula furigana： C58-H46-N8-O4-S
Molecular weight： 951.120
InChI： InChI=1S/C58H46N8O4S/c67-65(68)55-17-9-7-11-45(55)39-59-37-41-19-27-49(28-20-41)63(47-13-3-1-4-14-47)51-31-23-43(24-32-51)53-35-36-54(58-57(53)61-71-62-58)44-25-33-52(34-26-44)64(48-15-5-2-6-16-48)50-29-21-42(22-30-50)38-60-40-46-12-8-10-18-56(46)66(69)70/h1-36,59-60H,37-40H2
InChI key： CNKOEGNYBNRNLE-UHFFFAOYSA-N
SMILES： [O-][N+](=O)c1ccccc1CNCc1ccc(cc1)N(c1ccccc1)c1ccc(cc1)c1ccc(c2ccc(cc2)N(c2ccccc2)c2ccc(CNCc3ccccc3[N+](=O)[O-])cc2)c2nsnc12
Systematic name  (3)：
  • 4,4′-(2,1,3-ベンゾチアジアゾール-4,7-ジイル)ビス[N-フェニル-N-[4-[[(2-ニトロベンジル)アミノ]メチル]フェニル]ベンゼンアミン]
  • N-[4-({[(2-ニトロフェニル)メチル]アミノ}メチル)フェニル]-4-[7-(4-{[4-({[(2-ニトロフェニル)メチル]アミノ}メチル)フェニル](フェニル)アミノ}フェニル)-2,1,3-ベンゾチアジアゾール-4-イル]-N-フェニルアニリン
  • N-[4-({[(2-nitrophenyl)methyl]amino}methyl)phenyl]-4-[7-(4-{[4-({[(2-nitrophenyl)methyl]amino}methyl)phenyl](phenyl)amino}phenyl)-2,1,3-benzothiadiazol-4-yl]-N-phenylaniline
Other name (1)：
  • 4,4′-(2,1,3-Benzothiadiazole-4,7-diyl)bis[N-phenyl-N-[4-[[(2-nitrobenzyl)amino]methyl]phenyl]benzeneamine]
Thsaurus map：
Thesaurus Map

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