85833-79-0
4-[5-(4-METHOXYPHENYL)-1-(2-NAPHTHYL)-4,5-DIHYDRO-1H-PYRAZOLE-3-YL]-7H-BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLIN-7-ONE
Name4-[5-(4-METHOXYPHENYL)-1-(2-NAPHTHYL)-4,5-DIHYDRO-1H-PYRAZOLE-3-YL]-7H-BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLIN-7-ONE
1Identification
【Name】
4-[5-(4-METHOXYPHENYL)-1-(2-NAPHTHYL)-4,5-DIHYDRO-1H-PYRAZOLE-3-YL]-7H-BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLIN-7-ONE
【CAS】
【MDL】
MFCD06411328
【English Synonyms】
【Formula】
C38 H26 N4 O2
【MolWeight】
570.649
【Inchi】
InChI=1S/C38H26N4O2/c1-44-27-17-14-24(15-18-27)35-22-33(40-42(35)26-16-13-23-7-2-3-8-25(23)21-26)28-19-20-31-36-29(28)9-6-10-30(36)37-39-32-11-4-5-12-34(32)41(37)38(31)43/h2-21,35H,22H2,1H3
【InChIKey】
InChIKey=NRJWLWMYNPVLGP-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)C2CC(=NN2c3ccc4ccccc4c3)c5ccc6c7c5cccc7c8nc9ccccc9n8c6=O
【MOL File】
4-[5-(4-METHOXYPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[5-(4-METHOXYPHENYL)-1-(2-NAPHTHYL)-4,5-DIHYDRO-1H-PYRAZOLE-3-YL]-7H-BENZIMIDAZO[2,1-A]BENZO[DE]ISOQUINOLIN-7-ONE.cml