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(p)-N,N'-Bis(1-naphthyl)-1,12-dimethylbenzo[c]phenanthrene-5,8-diamide
SpectraBase Compound ID 96AfJmb27Yc
InChI InChI=1S/C42H30N2O2/c1-25-11-7-19-32-34(41(45)43-36-21-9-15-27-13-3-5-17-30(27)36)23-29-24-35(33-20-8-12-26(2)39(33)40(29)38(25)32)42(46)44-37-22-10-16-28-14-4-6-18-31(28)37/h3-24H,1-2H3,(H,43,45)(H,44,46)
InChIKey DDHRAJXUDOFBEZ-UHFFFAOYSA-N
Mol Weight 594.7 g/mol
Molecular Formula C42H30N2O2
Exact Mass 594.230728 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdLD3oU1ocy
Name (p)-N,N'-bis(1-Naphthyl)-1,12-dimethylbenzo[C]phenanthrene-5,8-diamide
Comments Computed using HOSE algorithm
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Exact Mass 594.230728212 u
Formula C42H30N2O2
InChI InChI=1S/C42H30N2O2/c1-25-11-7-19-32-34(41(45)43-36-21-9-15-27-13-3-5-17-30(27)36)23-29-24-35(33-20-8-12-26(2)39(33)40(29)38(25)32)42(46)44-37-22-10-16-28-14-4-6-18-31(28)37/h3-24H,1-2H3,(H,43,45)(H,44,46)
InChIKey DDHRAJXUDOFBEZ-UHFFFAOYSA-N
Molecular Weight 594.714 g/mol
SMILES C12=C3C(C=CC=C3C)=C(C=C1C=C(C(NC=1C=3C(=CC=CC3)C=CC1)=O)C=1C2=C(C=CC1)C)C(NC1=C2C(C=CC=C2)=CC=C1)=O