1-[4-[TRIS-[4-(4-PHOSPHONODIETHOXYPHENYL)-PHENYL]-METHYL]-PHENYL]-1'-(3-BROMOPROPYL)-4,4'-BIPYRIDINIUM-HEXAFLUOROPHOSPHATE

SpectraBase Compound ID	9Ank89eDPCx
InChI	InChI=1S/C68H72BrN2O9P3.2F6P/c1-7-75-81(72,76-8-2)65-36-20-55(21-37-65)52-14-26-60(27-15-52)68(61-28-16-53(17-29-61)56-22-38-66(39-23-56)82(73,77-9-3)78-10-4,62-30-18-54(19-31-62)57-24-40-67(41-25-57)83(74,79-11-5)80-12-6)63-32-34-64(35-33-63)71-50-44-59(45-51-71)58-42-48-70(49-43-58)47-13-46-69;21-7(2,3,4,5)6/h14-45,48-51H,7-13,46-47H2,1-6H3;;/q+2;2-1
InChIKey	FSWAJIYRWHEFNF-UHFFFAOYSA-N Google Search
Mol Weight	1524.1 g/mol
Molecular Formula	C68H72BrF12N2O9P5
Exact Mass	1522.291768 g/mol

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SpectraBase Spectrum ID	BsdkORcCKR4
Name	1-[4-[TRIS-[4-(4-PHOSPHONODIETHOXYPHENYL)-PHENYL]-METHYL]-PHENYL]-1'-(3-BROMOPROPYL)-4,4'-BIPYRIDINIUM-HEXAFLUOROPHOSPHATE
Compound Number	12*2PF6
Copyright	Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula	C68H72BrF12N2O9P5
InChI	InChI=1S/C68H72BrN2O9P3.2F6P/c1-7-75-81(72,76-8-2)65-36-20-55(21-37-65)52-14-26-60(27-15-52)68(61-28-16-53(17-29-61)56-22-38-66(39-23-56)82(73,77-9-3)78-10-4,62-30-18-54(19-31-62)57-24-40-67(41-25-57)83(74,79-11-5)80-12-6)63-32-34-64(35-33-63)71-50-44-59(45-51-71)58-42-48-70(49-43-58)47-13-46-69;21-7(2,3,4,5)6/h14-45,48-51H,7-13,46-47H2,1-6H3;;/q+2;2-1
InChIKey	FSWAJIYRWHEFNF-UHFFFAOYSA-N
Literature Reference Author	B.LONG,K.NIKITIN,D.FITZMAURICE
Literature Reference Citation	J.AM.CHEM.SOC.,125,15490(2003)
Literature Reference DOI	10.1021/ja037592g
Solvent	CDCl3
Source File Reference	UWSI35625