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4-(4-(Trifluoromethyl)phenyl)-2,6-bis((4-fluorophenyl)ethynyl)-3,5-bis(p-tolylethynyl)pyridine

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4-(4-(Trifluoromethyl)phenyl)-2,6-bis((4-fluorophenyl)ethynyl)-3,5-bis(p-tolylethynyl)pyridine
SpectraBase Compound ID A6fIQL8KP4V
InChI InChI=1S/C46H26F5N/c1-31-3-7-33(8-4-31)15-27-41-43(29-17-35-11-23-39(47)24-12-35)52-44(30-18-36-13-25-40(48)26-14-36)42(28-16-34-9-5-32(2)6-10-34)45(41)37-19-21-38(22-20-37)46(49,50)51/h3-14,19-26H,1-2H3
InChIKey WNMWHDMQNZETEA-UHFFFAOYSA-N
Mol Weight 687.7 g/mol
Molecular Formula C46H26F5N
Exact Mass 687.198541 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kw0UqSndxc0
Name 4-(4-(Trifluoromethyl)phenyl)-2,6-bis((4-fluorophenyl)ethynyl)-3,5-bis(p-tolylethynyl)pyridine
Alternate Name(s) 2,6-Bis((4-fluorophenyl)ethynyl)-3,5-bis(p-tolylethynyl)-4-(4-(trifluoromethyl)phenyl)pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H26F5N
InChI InChI=1S/C46H26F5N/c1-31-3-7-33(8-4-31)15-27-41-43(29-17-35-11-23-39(47)24-12-35)52-44(30-18-36-13-25-40(48)26-14-36)42(28-16-34-9-5-32(2)6-10-34)45(41)37-19-21-38(22-20-37)46(49,50)51/h3-14,19-26H,1-2H3
InChIKey WNMWHDMQNZETEA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c4ob01292e
Molecular Weight 687.713 g/mol
SMILES c1(c(-c2ccc(cc2)C(F)(F)F)c(c(C#Cc2ccc(cc2)F)nc1C#Cc1ccc(cc1)F)C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C
SPLASH splash10-000i-0100019000-f56583ad90452a925335
Source of Spectrum F5-12-8639-15c
Wiley ID 1748277