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4,6-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]dibenzo[b,d]thiophene
SpectraBase Compound ID LRW5HRevfh3
InChI InChI=1S/C64H42N2S/c1-5-15-53(16-6-1)65(54-17-7-2-8-18-54)57-43-35-49(36-44-57)29-27-47-31-39-51(40-32-47)59-23-13-25-61-62-26-14-24-60(64(62)67-63(59)61)52-41-33-48(34-42-52)28-30-50-37-45-58(46-38-50)66(55-19-9-3-10-20-55)56-21-11-4-12-22-56/h1-26,31-46H
InChIKey RUJIFPQFFVYEOF-UHFFFAOYSA-N
Mol Weight 871.1 g/mol
Molecular Formula C64H42N2S
Exact Mass 870.306871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMEzv3Tqehu
Name 4,6-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]dibenzo[b,d]thiophene
Comments Less than 3 mono-isotopic peaks
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Formula C64H42N2S
InChI InChI=1S/C64H42N2S/c1-5-15-53(16-6-1)65(54-17-7-2-8-18-54)57-43-35-49(36-44-57)29-27-47-31-39-51(40-32-47)59-23-13-25-61-62-26-14-24-60(64(62)67-63(59)61)52-41-33-48(34-42-52)28-30-50-37-45-58(46-38-50)66(55-19-9-3-10-20-55)56-21-11-4-12-22-56/h1-26,31-46H
InChIKey RUJIFPQFFVYEOF-UHFFFAOYSA-N
Molecular Weight 871.114 g/mol
SMILES c12sc3c(c2cccc1-c1ccc(C#Cc2ccc(N(c4ccccc4)c4ccccc4)cc2)cc1)cccc3-c1ccc(C#Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
SPLASH splash10-00di-0000100090-1c5de5bded194db3511b
Source of Spectrum F-67-6810-3ff
Wiley ID 1713285