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2,3,6,7-tetrakis(4'-t-Butylanilino)-1,4,5,8-tetraazafulvalene
SpectraBase Compound ID E3bU4Hh6dQz
InChI InChI=1S/C46H56N8/c1-43(2,3)29-13-21-33(22-14-29)47-37-38(48-34-23-15-30(16-24-34)44(4,5)6)52-41(51-37)42-53-39(49-35-25-17-31(18-26-35)45(7,8)9)40(54-42)50-36-27-19-32(20-28-36)46(10,11)12/h13-28H,1-12H3,(H,47,51)(H,48,52)(H,49,53)(H,50,54)
InChIKey RBCKWWKALSZKGC-UHFFFAOYSA-N
Mol Weight 721.0 g/mol
Molecular Formula C46H56N8
Exact Mass 720.462794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3M9d4LWFHLG
Name 2,3,6,7-tetrakis(4'-t-Butylanilino)-1,4,5,8-tetraazafulvalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C46H56N8
InChI InChI=1S/C46H56N8/c1-43(2,3)29-13-21-33(22-14-29)47-37-38(48-34-23-15-30(16-24-34)44(4,5)6)52-41(51-37)42-53-39(49-35-25-17-31(18-26-35)45(7,8)9)40(54-42)50-36-27-19-32(20-28-36)46(10,11)12/h13-28H,1-12H3,(H,47,51)(H,48,52)(H,49,53)(H,50,54)
InChIKey RBCKWWKALSZKGC-UHFFFAOYSA-N
Molecular Weight 721.010 g/mol
SMILES N(C1=NC(=C2N=C(C(=N2)Nc2ccc(C(C)(C)C)cc2)Nc2ccc(C(C)(C)C)cc2)N=C1Nc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
SPLASH splash10-00di-0501011900-31e30bbdceb2d2585c66
Source of Spectrum U-1997-620-4
Synonyms 2-{4,5-bis[(4-tert-butylphenyl)amino]-2H-imidazol-2-ylidene}-4-N,5-N-bis(4-tert-butylphenyl)-2H-imidazole-4,5-diamine
Wiley ID 769610