90053-95-5
3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(4-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(4-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE
Name3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(4-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(4-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE
1Identification
【Name】
3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(4-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(4-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE
【CAS】
【MDL】
MFCD12198376
【English Synonyms】
【Formula】
C49 H35 N7 O5
【MolWeight】
801.859
【Inchi】
InChI=1S/C49H35N7O5/c1-28-11-17-33(18-12-28)50-47(59)39-25-31-7-3-5-9-37(31)43(45(39)57)55-53-35-21-15-30(16-22-35)49-52-41-24-23-36(27-42(41)61-49)54-56-44-38-10-6-4-8-32(38)26-40(46(44)58)48(60)51-34-19-13-29(2)14-20-34/h3-27,57-58H,1-2H3,(H,50,59)(H,51,60)/b55-53+,56-54+
【InChIKey】
InChIKey=HYVHENIQJSCXQO-DSZBTAPASA-N
【SMILES】
Cc1ccc(cc1)NC(=O)c2cc3ccccc3c(c2O)/N=N/c4ccc(cc4)c5nc6ccc(cc6o5)/N=N/c7c8ccccc8cc(c7O)C(=O)Nc9ccc(cc9)C
【MOL File】
3-HYDROXY-4-[[4-[6-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:12
XLogP3:15.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(4-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(4-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE.cml