3-Methyl-1-phenyl-5-(4-methylphenyl)-6-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate

SpectraBase Compound ID	5TmM64rnzme
InChI	InChI=1S/C25H20ClN4.BF4/c1-17-8-14-21(15-9-17)29-16-23-18(2)28-30(22-6-4-3-5-7-22)25(23)27-24(29)19-10-12-20(26)13-11-19;2-1(3,4)5/h3-16H,1-2H3;/q+1;-1
InChIKey	RHNFNMRELKNVAX-UHFFFAOYSA-N Google Search
Mol Weight	498.72 g/mol
Molecular Formula	C25H20BClF4N4
Exact Mass	498.140567 g/mol

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SpectraBase Spectrum ID	BY4S6tvD8Mv
Name	3-Methyl-1-phenyl-5-(4-methylphenyl)-6-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidinium tetrafluoroborate
Alternate Name(s)	6-(4-Chlorophenyl)-3-methyl-5-(4-methylphenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5-ium tetrafluoroborate
CAS Registry Number	115437-53-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H20BClF4N4
InChI	InChI=1S/C25H20ClN4.BF4/c1-17-8-14-21(15-9-17)29-16-23-18(2)28-30(22-6-4-3-5-7-22)25(23)27-24(29)19-10-12-20(26)13-11-19;2-1(3,4)5/h3-16H,1-2H3;/q+1;-1
InChIKey	RHNFNMRELKNVAX-UHFFFAOYSA-N
Molecular Weight	498.720 g/mol
SMILES	[B-](F)(F)(F)F.c12[n](nc(c2c[n+](c(n1)-c1ccc(Cl)cc1)-c1ccc(C)cc1)C)-c1ccccc1
SPLASH	splash10-0550-2900000000-e4b2bed0b0bcbf4ad655
Source of Spectrum	J-53-4660-20
Wiley ID	1398511