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(S)-1-[2'-[3,5-bis-(Trifluoromethyl)-phenyl]-(1,1'-binaphthalen)-2-yl]-1H-benzo-[D]-imidazole

View entire compound with spectra: 2 NMR

(S)-1-[2'-[3,5-bis-(Trifluoromethyl)-phenyl]-(1,1'-binaphthalen)-2-yl]-1H-benzo-[D]-imidazole
SpectraBase Compound ID GMpI4rfxjRd
InChI InChI=1S/C35H20F6N2/c36-34(37,38)24-17-23(18-25(19-24)35(39,40)41)28-15-13-21-7-1-3-9-26(21)32(28)33-27-10-4-2-8-22(27)14-16-31(33)43-20-42-29-11-5-6-12-30(29)43/h1-20H
InChIKey TXCUYHKKWJSEKN-UHFFFAOYSA-N
Mol Weight 582.5 g/mol
Molecular Formula C35H20F6N2
Exact Mass 582.153068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKIgZSTztjN
Name (S)-1-[2'-[3,5-bis-(Trifluoromethyl)-phenyl]-(1,1'-binaphthalen)-2-yl]-1H-benzo-[D]-imidazole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.153067630 u
Formula C35H20F6N2
InChI InChI=1S/C35H20F6N2/c36-34(37,38)24-17-23(18-25(19-24)35(39,40)41)28-15-13-21-7-1-3-9-26(21)32(28)33-27-10-4-2-8-22(27)14-16-31(33)43-20-42-29-11-5-6-12-30(29)43/h1-20H
InChIKey TXCUYHKKWJSEKN-UHFFFAOYSA-N
Molecular Weight 582.549 g/mol
SMILES C(F)(C=1C=C(C=C(C=2C(C3=C(C=CC=4C=CC=CC34)N3C=NC4=CC=CC=C34)=C3C(=CC2)C=CC=C3)C1)C(F)(F)F)(F)F