Chem
J-GLOBAL ID:200907060157799250   Nikkaji number:J1.958.121G

DTBTA

[[4′-[4′-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]ビフェニル-4-イル]-2,2′:6′,2′′-テルピリジン-6,6′′-ジイル]ビス(メチレンニトリロ)]四酢酸
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: C40H33Cl2N9O8
Molecular formula furigana: C40-H33-CL2-N9-O8
Molecular weight: 838.660
InChI: InChI=1S/C40H33Cl2N9O8/c41-38-47-39(42)49-40(48-38)45-27-13-11-24(12-14-27)23-7-9-25(10-8-23)26-15-32(30-5-1-3-28(43-30)17-50(19-34(52)53)20-35(54)55)46-33(16-26)31-6-2-4-29(44-31)18-51(21-36(56)57)22-37(58)59/h1-16H,17-22H2,(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,45,47,48,49)
InChI key: KYLRYDWGHYBJKK-UHFFFAOYSA-N
SMILES: OC(=O)CN(CC(=O)O)Cc1cccc(n1)c1cc(cc(n1)c1cccc(CN(CC(=O)O)CC(=O)O)n1)c1ccc(cc1)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
Systematic name  (7):
  • N,N′-[4′-[4′-(2,4-ジクロロ-1,3,5-トリアジン-6-イルアミノ)ビフェニル-4-イル]-2,2′:6′,2′′-テルピリジン-6,6′′-ジイルビスメチレン]ビス[N-(カルボキシメチル)グリシン]
  • 2,2′,2′′,2′′′-[[4′-[4′-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]-4-ビフェニリル]-2,2′:6′,2′′-テルピリジン-6,6′′-ジイル]ビス(メチレンニトリロ)]四酢酸
  • N,N′-[4′-[4-(2,4-ジクロロ-1,3,5-トリアジン-6-イルアミノ)ビフェニル-4′-イル]-2,2′:6′,2′′-テルピリジン-6,6′′-ジイルビスメチレン]ビス[N-(カルボキシメチル)グリシン]
  • 2,2′,2′′,2′′′-[4′-[4′-[(2,4-ジクロロ-1,3,5-トリアジン-6-イル)アミノ]-4-ビフェニリル]-2,2′:6′,2′′-テルピリジン-6,6′′-ジイルビス(メチレンニトリロ)]テトラ酢酸
  • [[4′-[4′-[(4,6-ジクロロ-1,3,5-トリアジン-2-イル)アミノ]ビフェニル-4-イル]-2,2′:6′,2′′-テルピリジン-6,6′′-ジイル]ビス(メチレンニトリロ)]四酢酸
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Other name (6):
  • N,N′-[4′-[4′-(2,4-Dichloro-1,3,5-triazine-6-ylamino)biphenyl-4-yl]-2,2′:6′,2′′-terpyridine-6,6′′-diylbismethylene]bis[N-(carboxymethyl)glycine]
  • 2,2′,2′′,2′′′-[[4′-[4′-[(4,6-Dichloro-1,3,5-triazine-2-yl)amino]-4-biphenylyl]-2,2′:6′,2′′-terpyridine-6,6′′-diyl]bis(methylenenitrilo)]tetraacetic acid
  • N,N′-[4′-[4-(2,4-Dichloro-1,3,5-triazine-6-ylamino)biphenyl-4′-yl]-2,2′:6′,2′′-terpyridine-6,6′′-diylbismethylene]bis[N-(carboxymethyl)glycine]
  • 2,2′,2′′,2′′′-[4′-[4′-[(2,4-Dichloro-1,3,5-triazine-6-yl)amino]-4-biphenylyl]-2,2′:6′,2′′-terpyridine-6,6′′-diylbis(methylenenitrilo)]tetraacetic acid
  • DTBTA
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