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5,5'-Bis[3-(3-ethynylphenylethynyl)-5-hexyloxymethylphenyl][2,2']bipyridinyl
SpectraBase Compound ID JAz2KNE4J32
InChI InChI=1S/C56H52N2O2/c1-5-9-11-13-29-59-41-49-33-47(23-21-45-19-15-17-43(7-3)31-45)35-53(37-49)51-25-27-55(57-39-51)56-28-26-52(40-58-56)54-36-48(24-22-46-20-16-18-44(8-4)32-46)34-50(38-54)42-60-30-14-12-10-6-2/h3-4,15-20,25-28,31-40H,5-6,9-14,29-30,41-42H2,1-2H3
InChIKey ZVHMYVKRLUTDFZ-UHFFFAOYSA-N
Mol Weight 785.0 g/mol
Molecular Formula C56H52N2O2
Exact Mass 784.402879 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5lUnxat4Yu0
Name 5,5'-Bis[3-(3-ethynylphenylethynyl)-5-hexyloxymethylphenyl][2,2']bipyridinyl
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C56H52N2O2
InChI InChI=1S/C56H52N2O2/c1-5-9-11-13-29-59-41-49-33-47(23-21-45-19-15-17-43(7-3)31-45)35-53(37-49)51-25-27-55(57-39-51)56-28-26-52(40-58-56)54-36-48(24-22-46-20-16-18-44(8-4)32-46)34-50(38-54)42-60-30-14-12-10-6-2/h3-4,15-20,25-28,31-40H,5-6,9-14,29-30,41-42H2,1-2H3
InChIKey ZVHMYVKRLUTDFZ-UHFFFAOYSA-N
Molecular Weight 785.044 g/mol
SMILES C(#Cc1cc(C#C)ccc1)c1cc(-c2cnc(cc2)-c2ncc(-c3cc(C#Cc4cc(C#C)ccc4)cc(c3)COCCCCCC)cc2)cc(c1)COCCCCCC
SPLASH splash10-000t-0000947800-9e41cd1acfd8523d06ec
Source of Spectrum QE-6-2366-9
Synonyms 5-{3-[2-(3-ethynylphenyl)ethynyl]-5-[(hexyloxy)methyl]phenyl}-2-(5-{3-[2-(3-ethynylphenyl)ethynyl]-5-[(hexyloxy)methyl]phenyl}pyridin-2-yl)pyridine
Wiley ID 844905