85008-85-1
1,3A,8,12B-TETRAHYDRO-1,3-DIPHENYLDIBENZO(B,F)PYRAZOLO(3,4-D)AZEPINE
Name1,3A,8,12B-TETRAHYDRO-1,3-DIPHENYLDIBENZO(B,F)PYRAZOLO(3,4-D)AZEPINE
1Identification
【Name】
1,3A,8,12B-TETRAHYDRO-1,3-DIPHENYLDIBENZO(B,F)PYRAZOLO(3,4-D)AZEPINE
【CAS】
【MDL】
MFCD01752513
【English Synonyms】
【Formula】
C27 H21 N3
【MolWeight】
387.484
【Inchi】
InChI=1S/C27H21N3/c1-3-11-19(12-4-1)26-25-21-15-7-9-17-23(21)28-24-18-10-8-16-22(24)27(25)30(29-26)20-13-5-2-6-14-20/h1-18,25,27-28H
【InChIKey】
InChIKey=QRRLOHLTSQNEFY-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C2=NN(C3C2c4ccccc4Nc5c3cccc5)c6ccccc6
【MOL File】
1,3A,8,12B-TETRAHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3A,8,12B-TETRAHYDRO-1,3-DIPHENYLDIBENZO(B,F)PYRAZOLO(3,4-D)AZEPINE.cml