7267-75-6
3,3'-(1,4-PHENYLENE)BIS(1,5-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE)
Name3,3'-(1,4-PHENYLENE)BIS(1,5-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE)
1Identification
【Name】
3,3'-(1,4-PHENYLENE)BIS(1,5-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE)
【CAS】
【MDL】
MFCD00514281
【English Synonyms】
【Formula】
C36 H30 N4
【MolWeight】
518.661
【Inchi】
InChI=1S/C36H30N4/c1-5-13-29(14-6-1)35-25-33(37-39(35)31-17-9-3-10-18-31)27-21-23-28(24-22-27)34-26-36(30-15-7-2-8-16-30)40(38-34)32-19-11-4-12-20-32/h1-24,35-36H,25-26H2
【InChIKey】
InChIKey=HUDFQTTYMSMMGU-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2CC(=NN2c3ccccc3)c4ccc(cc4)C5=NN(C(C5)c6ccccc6)c7ccccc7
【MOL File】
3,3'-(1,4-PHENYLENE)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,3'-(1,4-PHENYLENE)BIS(1,5-DIPHENYL-4,5-DIHYDRO-1H-PYRAZOLE).cml