653605-07-3
8,8'-DIBROMO-5,5',11,11'-TETRAMETHYL-5,5',6,6',11,11',12,12'-OCTAHYDRO-2,2'-BIDIBENZO[B,F][1,5]DIAZOCINE
Name8,8'-DIBROMO-5,5',11,11'-TETRAMETHYL-5,5',6,6',11,11',12,12'-OCTAHYDRO-2,2'-BIDIBENZO[B,F][1,5]DIAZOCINE
1Identification
【Name】
8,8'-DIBROMO-5,5',11,11'-TETRAMETHYL-5,5',6,6',11,11',12,12'-OCTAHYDRO-2,2'-BIDIBENZO[B,F][1,5]DIAZOCINE
【CAS】
【MDL】
MFCD11505670
【English Synonyms】
8,8'-DIBROMO-5,5',11,11'-TETRAMETHYL-5,5',6,6',11,11',12,12'-OCTAHYDRO-2,2'-BIDIBENZO[B,F][1,5]DIAZOCINE
【Formula】
C32H32Br2N4
【MolWeight】
632.441
【Inchi】
InChI=1S/C32H32Br2N4/c1-35-17-21-15-23(33)11-13-29(21)37(3)19-27-25(7-5-9-31(27)35)26-8-6-10-32-28(26)20-38(4)30-14-12-24(34)16-22(30)18-36(32)2/h5-16H,17-20H2,1-4H3
【InChIKey】
InChIKey=VDQWGFXUHXWHOG-UHFFFAOYSA-N
【SMILES】
BrC1=CC2=C(N(CC3=C(N(C2)C)C=CC=C3C3=CC=CC=2N(CC4=C(N(CC23)C)C=CC(=C4)Br)C)C)C=C1
【MOL File】
8,8'-DIBROMO-5,5',11….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:8.3506
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
8,8'-DIBROMO-5,5',11,11'-TETRAMETHYL-5,5',6,6',11,11',12,12'-OCTAHYDRO-2,2'-BIDIBENZO[B,F][1,5]DIAZOCINE.cml