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4-[2-[3-[2-[3,5-bis[2-[1-(2-pyridin-4-ylethynyl)-3-bicyclo[1.1.1]pentanyl]ethynyl]phenyl]ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]pyridine

View entire compound with spectra: 1 MS (GC)

4-[2-[3-[2-[3,5-bis[2-[1-(2-pyridin-4-ylethynyl)-3-bicyclo[1.1.1]pentanyl]ethynyl]phenyl]ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]pyridine
SpectraBase Compound ID 3dRsBmTzhsC
InChI InChI=1S/C48H33N3/c1(37-7-19-49-20-8-37)13-43-28-46(29-43,30-43)16-4-40-25-41(5-17-47-31-44(32-47,33-47)14-2-38-9-21-50-22-10-38)27-42(26-40)6-18-48-34-45(35-48,36-48)15-3-39-11-23-51-24-12-39/h7-12,19-27H,28-36H2
InChIKey PRWFBVZVXDFQRR-UHFFFAOYSA-N
Mol Weight 651.8 g/mol
Molecular Formula C48H33N3
Exact Mass 651.267448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATgel03N4s
Name 4-[2-[3-[2-[3,5-bis[2-[1-(2-pyridin-4-ylethynyl)-3-bicyclo[1.1.1]pentanyl]ethynyl]phenyl]ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]pyridine
Alternate Name(s) 4-[2-[3-[2-[3,5-bis[2-[1-[2-(4-pyridyl)ethynyl]-3-bicyclo[1.1.1]pentanyl]ethynyl]phenyl]ethynyl]-1-bicyclo[1.1.1]pentanyl]ethynyl]pyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H33N3
InChI InChI=1S/C48H33N3/c1(37-7-19-49-20-8-37)13-43-28-46(29-43,30-43)16-4-40-25-41(5-17-47-31-44(32-47,33-47)14-2-38-9-21-50-22-10-38)27-42(26-40)6-18-48-34-45(35-48,36-48)15-3-39-11-23-51-24-12-39/h7-12,19-27H,28-36H2
InChIKey PRWFBVZVXDFQRR-UHFFFAOYSA-N
Molecular Weight 651.813 g/mol
SMILES C12(C#Cc3cc(C#CC45CC(C5)(C#Cc5ccncc5)C4)cc(C#CC45CC(C4)(C#Cc4ccncc4)C5)c3)CC(C1)(C#Cc1ccncc1)C2
SPLASH splash10-052r-3311591000-8be3a1e4b00c65e4310d
Source of Spectrum J-67-5484-5
Wiley ID 1570493