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1,4-bis[4'-(2''-Methyl-1H-indol-3"-yl)-3'-nitrochroman-2'-yl]-benzene
SpectraBase Compound ID 2FfB4scnTbO
InChI InChI=1S/C42H34N4O6/c1-23-35(27-11-3-7-15-31(27)43-23)37-29-13-5-9-17-33(29)51-41(39(37)45(47)48)25-19-21-26(22-20-25)42-40(46(49)50)38(30-14-6-10-18-34(30)52-42)36-24(2)44-32-16-8-4-12-28(32)36/h3-22,37-44H,1-2H3
InChIKey GEXXUBJYHNFZMS-UHFFFAOYSA-N
Mol Weight 690.8 g/mol
Molecular Formula C42H34N4O6
Exact Mass 690.247835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7R6vPptR12i
Name 1,4-bis[4'-(2''-Methyl-1H-indol-3"-yl)-3'-nitrochroman-2'-yl]-benzene
Alternate Name(s) 2-Methyl-3-[2-[4-[4-(2-methyl-1H-indol-3-yl)-3-nitro-3,4-dihydro-2H-1-benzopyran-2-yl]phenyl]-3-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-indole 2-Methyl-3-[2-[4-[4-(2-methyl-1H-indol-3-yl)-3-nitro-3,4-dihydro-2H-chromen-2-yl]phenyl]-3-nitro-3,4-dihydro-2H-chromen-4-yl]-1H-indole
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Formula C42H34N4O6
InChI InChI=1S/C42H34N4O6/c1-23-35(27-11-3-7-15-31(27)43-23)37-29-13-5-9-17-33(29)51-41(39(37)45(47)48)25-19-21-26(22-20-25)42-40(46(49)50)38(30-14-6-10-18-34(30)52-42)36-24(2)44-32-16-8-4-12-28(32)36/h3-22,37-44H,1-2H3
InChIKey GEXXUBJYHNFZMS-UHFFFAOYSA-N
Molecular Weight 690.756 g/mol
SMILES [nH]1c2c(c(C3C(C(c4ccc(C5C(C(c6c([nH]c7c6cccc7)C)c6c(O5)cccc6)N(=O)=O)cc4)Oc4c3cccc4)N(=O)=O)c1C)cccc2
SPLASH splash10-001i-0966121000-722573577780d52e96b5
Source of Spectrum U1-2009-4514-28a
Wiley ID 1696896