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2-{2-[4-([1,1'-biphenyl]-4-ylcarbonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione

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2-{2-[4-([1,1'-biphenyl]-4-ylcarbonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID 97jF8mbqIoR
InChI InChI=1S/C31H27N3O3/c35-29(25-14-12-23(13-15-25)22-6-2-1-3-7-22)33-19-16-32(17-20-33)18-21-34-30(36)26-10-4-8-24-9-5-11-27(28(24)26)31(34)37/h1-15H,16-21H2
InChIKey UCKJKGFEGNJWLW-UHFFFAOYSA-N
Mol Weight 489.58 g/mol
Molecular Formula C31H27N3O3
Exact Mass 489.205242 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9SU9TBOYtc
Name 2-{2-[4-([1,1'-Biphenyl]-4-ylcarbonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 489.205241738 u
Formula C31H27N3O3
InChI InChI=1S/C31H27N3O3/c35-29(25-14-12-23(13-15-25)22-6-2-1-3-7-22)33-19-16-32(17-20-33)18-21-34-30(36)26-10-4-8-24-9-5-11-27(28(24)26)31(34)37/h1-15H,16-21H2
InChIKey UCKJKGFEGNJWLW-UHFFFAOYSA-N
Molecular Weight 489.575 g/mol
SMILES C=1C=CC(C=2C=CC(C(N3CCN(CCN4C(C5=CC=CC=6C5=C(C4=O)C=CC6)=O)CC3)=O)=CC2)=CC1