92828-23-4
3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(3-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(3-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE
Name3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(3-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(3-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE
1Identification
【Name】
3-HYDROXY-4-[[4-[6-[[2-HYDROXY-3-[[(3-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(3-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE
【CAS】
【MDL】
MFCD12198375
【English Synonyms】
【Formula】
C49 H35 N7 O5
【MolWeight】
801.859
【Inchi】
InChI=1S/C49H35N7O5/c1-28-9-7-13-34(23-28)50-47(59)39-25-31-11-3-5-15-37(31)43(45(39)57)55-53-33-19-17-30(18-20-33)49-52-41-22-21-36(27-42(41)61-49)54-56-44-38-16-6-4-12-32(38)26-40(46(44)58)48(60)51-35-14-8-10-29(2)24-35/h3-27,57-58H,1-2H3,(H,50,59)(H,51,60)/b55-53+,56-54+
【InChIKey】
InChIKey=BOJOHSVHIKXMNH-DSZBTAPASA-N
【SMILES】
Cc1cccc(c1)NC(=O)c2cc3ccccc3c(c2O)/N=N/c4ccc(cc4)c5nc6ccc(cc6o5)/N=N/c7c8ccccc8cc(c7O)C(=O)Nc9cccc(c9)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-[[(3-METHYLPHENYL)AMINO]CARBONYL]-1-NAPHTHALENYL]AZO]-2-BENZOXAZOLYL]PHENYL]AZO]-N-(3-METHYLPHENYL)-2-NAPHTHALENECARBOXAMIDE.cml