70621-10-2
4,4'-(1,3,4-OXADIAZOLE-2,5-DIYLBIS[4,1]-PHENYLENEAZO)BIS[3-HYDROXY-N-(2-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE]
Name4,4'-(1,3,4-OXADIAZOLE-2,5-DIYLBIS[4,1]-PHENYLENEAZO)BIS[3-HYDROXY-N-(2-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE]
1Identification
【Name】
4,4'-(1,3,4-OXADIAZOLE-2,5-DIYLBIS[4,1]-PHENYLENEAZO)BIS[3-HYDROXY-N-(2-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE]
【CAS】
【MDL】
MFCD12022394
【English Synonyms】
【Formula】
C50 H36 N8 O5
【MolWeight】
828.885
【Inchi】
InChI=1S/C50H36N8O5/c1-29-11-3-9-17-41(29)51-47(61)39-27-33-13-5-7-15-37(33)43(45(39)59)55-53-35-23-19-31(20-24-35)49-57-58-50(63-49)32-21-25-36(26-22-32)54-56-44-38-16-8-6-14-34(38)28-40(46(44)60)48(62)52-42-18-10-4-12-30(42)2/h3-28,59-60H,1-2H3,(H,51,61)(H,52,62)/b55-53+,56-54+
【InChIKey】
InChIKey=HULYEMMUMFTSST-DSZBTAPASA-N
【SMILES】
Cc1ccccc1NC(=O)c2cc3ccccc3c(c2O)/N=N/c4ccc(cc4)c5nnc(o5)c6ccc(cc6)/N=N/c7c8ccccc8cc(c7O)C(=O)Nc9ccccc9C
【MOL File】
4,4'-(1,3,4-OXADIAZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:13
XLogP3:13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,4'-(1,3,4-OXADIAZOLE-2,5-DIYLBIS[4,1]-PHENYLENEAZO)BIS[3-HYDROXY-N-(2-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE].cml