19035-83-7
1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(2,3-DIMETHYLPYRIDINIUM BROMIDE)
Name1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(2,3-DIMETHYLPYRIDINIUM BROMIDE)
FormulaC30 H30 N2 O2 . 2 Br
1Identification
【Name】
1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(2,3-DIMETHYLPYRIDINIUM BROMIDE)
【CAS】
【MDL】
MFCD01691354
【English Synonyms】
【Formula】
C30 H30 N2 O2 . 2 Br
【MolWeight】
610.387
【Inchi】
InChI=1S/C30H30N2O2.2BrH/c1-21-7-5-17-31(23(21)3)19-29(33)27-13-9-25(10-14-27)26-11-15-28(16-12-26)30(34)20-32-18-6-8-22(2)24(32)4;;/h5-18H,19-20H2,1-4H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=LCOJWGACSMDJJE-UHFFFAOYSA-L
【SMILES】
Cc1ccc[n+](c1C)CC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)C[n+]4cccc(c4C)C.[Br-].[Br-]
【MOL File】
1,1'-(4,4'-BIPHENYLY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,1'-(4,4'-BIPHENYLYLENEBIS(2-OXOETHYLENE))BIS(2,3-DIMETHYLPYRIDINIUM BROMIDE).cml