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4-(4-Methoxyphenyl)-2,3,5,6-tetrakis((4-propylphenyl)ethynyl)-pyridine

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4-(4-Methoxyphenyl)-2,3,5,6-tetrakis((4-propylphenyl)ethynyl)-pyridine
SpectraBase Compound ID 89RihMrvkug
InChI InChI=1S/C56H51NO/c1-6-10-42-14-22-46(23-15-42)30-38-52-54(40-32-48-26-18-44(12-8-3)19-27-48)57-55(41-33-49-28-20-45(13-9-4)21-29-49)53(56(52)50-34-36-51(58-5)37-35-50)39-31-47-24-16-43(11-7-2)17-25-47/h14-29,34-37H,6-13H2,1-5H3
InChIKey CWIRQLZMOAWLPQ-UHFFFAOYSA-N
Mol Weight 754.0 g/mol
Molecular Formula C56H51NO
Exact Mass 753.397065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BDb1bIvyHPD
Name 4-(4-Methoxyphenyl)-2,3,5,6-tetrakis((4-propylphenyl)ethynyl)-pyridine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 753.397065265 u
Formula C56H51NO
InChI InChI=1S/C56H51NO/c1-6-10-42-14-22-46(23-15-42)30-38-52-54(40-32-48-26-18-44(12-8-3)19-27-48)57-55(41-33-49-28-20-45(13-9-4)21-29-49)53(56(52)50-34-36-51(58-5)37-35-50)39-31-47-24-16-43(11-7-2)17-25-47/h14-29,34-37H,6-13H2,1-5H3
InChIKey CWIRQLZMOAWLPQ-UHFFFAOYSA-N
Molecular Weight 754.030 g/mol
SMILES C=1(C#CC2=CC=C(C=C2)CCC)C(C2=CC=C(C=C2)OC)=C(C(C#CC2=CC=C(C=C2)CCC)=NC1C#CC=1C=CC(=CC1)CCC)C#CC1=CC=C(C=C1)CCC