18355-52-7
6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-METHYLQUINOLINIUM) DITOSYLATE
Name6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-METHYLQUINOLINIUM) DITOSYLATE
FormulaC34 H28 N4 O2 . 2 C7 H7 O3 S
1Identification
【Name】
6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-METHYLQUINOLINIUM) DITOSYLATE
【CAS】
【MDL】
MFCD01685308
【English Synonyms】
【Formula】
C34 H28 N4 O2 . 2 C7 H7 O3 S
【MolWeight】
867.012
【Inchi】
InChI=1S/C34H26N4O2.2C7H8O3S/c1-37-19-3-5-27-21-29(15-17-31(27)37)35-33(39)25-11-7-23(8-12-25)24-9-13-26(14-10-24)34(40)36-30-16-18-32-28(22-30)6-4-20-38(32)2;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-22H,1-2H3;2*2-5H,1H3,(H,8,9,10)
【InChIKey】
InChIKey=KCASYOHMJAYEDQ-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)[O-].Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]1cccc2c1ccc(c2)NC(=O)c3ccc(cc3)c4ccc(cc4)C(=O)Nc5ccc6c(c5)ccc[n+]6C
【MOL File】
6,6'-(P,P'-BIPHENYLY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6,6'-(P,P'-BIPHENYLYLENEBIS(CARBONYLIMINO))BIS(1-METHYLQUINOLINIUM) DITOSYLATE.cml