104989-09-5
2,5-BIS[4-[N,N'-BIS(4-METHYLPHENYL)AMINO]PHENYL]-1,3,4-OXADIAZOLE
Name2,5-BIS[4-[N,N'-BIS(4-METHYLPHENYL)AMINO]PHENYL]-1,3,4-OXADIAZOLE
1Identification
【Name】
2,5-BIS[4-[N,N'-BIS(4-METHYLPHENYL)AMINO]PHENYL]-1,3,4-OXADIAZOLE
【CAS】
【MDL】
MFCD09842180
【English Synonyms】
【Formula】
C42 H36 N4 O
【MolWeight】
612.773
【Inchi】
InChI=1S/C42H36N4O/c1-29-5-17-35(18-6-29)45(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)41-43-44-42(47-41)34-15-27-40(28-16-34)46(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38/h5-28H,1-4H3
【InChIKey】
InChIKey=PMGNLZYIMYOMOU-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)N(c2ccc(cc2)C)c3ccc(cc3)c4nnc(o4)c5ccc(cc5)N(c6ccc(cc6)C)c7ccc(cc7)C
【MOL File】
2,5-BIS[4-[N,N'-BIS(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:10.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,5-BIS[4-[N,N'-BIS(4-METHYLPHENYL)AMINO]PHENYL]-1,3,4-OXADIAZOLE.cml