97248-22-1
(E)-2-(2-(4-CYANOPHENYL)ETHENYL)-4,6-DIPHENYLPYRRILIUMTETRAFLUOROBORATE
Name(E)-2-(2-(4-CYANOPHENYL)ETHENYL)-4,6-DIPHENYLPYRRILIUMTETRAFLUOROBORATE
FormulaC26 H18 N O . B F4
1Identification
【Name】
(E)-2-(2-(4-CYANOPHENYL)ETHENYL)-4,6-DIPHENYLPYRRILIUMTETRAFLUOROBORATE
【CAS】
【MDL】
MFCD03411767
【English Synonyms】
【Formula】
C26 H18 N O . B F4
【MolWeight】
447.237
【Inchi】
InChI=1S/C26H18NO.BF4/c27-19-21-13-11-20(12-14-21)15-16-25-17-24(22-7-3-1-4-8-22)18-26(28-25)23-9-5-2-6-10-23;2-1(3,4)5/h1-18H;/q+1;-1/b16-15+;
【InChIKey】
InChIKey=LZNDLIMIZGDETE-GEEYTBSJSA-N
【SMILES】
[B-](F)(F)(F)F.c1ccc(cc1)c2cc([o+]c(c2)c3ccccc3)/C=C/c4ccc(cc4)C#N
【MOL File】
(E)-2-(2-(4-CYANOPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-2-(2-(4-CYANOPHENYL)ETHENYL)-4,6-DIPHENYLPYRRILIUMTETRAFLUOROBORATE.cml