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3,3'-((phenylazanediyl)bis(4,1-phenylene))bis(2-phenylquinoxaline-6,7-dicarbonitrile)
SpectraBase Compound ID LtJURifTYAm
InChI InChI=1S/C50H27N9/c51-28-36-24-43-45(26-38(36)30-53)57-49(47(55-43)32-10-4-1-5-11-32)34-16-20-41(21-17-34)59(40-14-8-3-9-15-40)42-22-18-35(19-23-42)50-48(33-12-6-2-7-13-33)56-44-25-37(29-52)39(31-54)27-46(44)58-50/h1-27H
InChIKey QHYARCZKPQRLLE-UHFFFAOYSA-N
Mol Weight 753.8 g/mol
Molecular Formula C50H27N9
Exact Mass 753.238942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rlHyboOOYX
Name 3,3'-((phenylazanediyl)bis(4,1-phenylene))bis(2-phenylquinoxaline-6,7-dicarbonitrile)
Appearance Red solid
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Formula C50H27N9
InChI InChI=1S/C50H27N9/c51-28-36-24-43-45(26-38(36)30-53)57-49(47(55-43)32-10-4-1-5-11-32)34-16-20-41(21-17-34)59(40-14-8-3-9-15-40)42-22-18-35(19-23-42)50-48(33-12-6-2-7-13-33)56-44-25-37(29-52)39(31-54)27-46(44)58-50/h1-27H
InChIKey QHYARCZKPQRLLE-UHFFFAOYSA-N
Instrument Name Thermo Fisher ITQ 1100
Ionization Type EI
Literature Reference DOI 10.1002/cplu.202000703
Molecular Weight 753.829 g/mol
SMILES c1c(cccc1)-c1nc2c(nc1-c1ccc(cc1)N(c1ccccc1)c1ccc(-c3c(-c4ccccc4)nc4c(n3)cc(c(c4)C#N)C#N)cc1)cc(c(c2)C#N)C#N
SPLASH splash10-0udi-0012101900-66fbe31e6653684de4ae
Source of Spectrum CPC-86-SM6-TPA-2DCNQ
Wiley ID 1856554