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1-(9-Phenyl-9-fluorenyl)-3-(triphenylmethyl)urea

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

1-(9-Phenyl-9-fluorenyl)-3-(triphenylmethyl)urea
SpectraBase Compound ID CE5YV8zN89n
InChI InChI=1S/C39H30N2O/c42-37(40-38(29-17-5-1-6-18-29,30-19-7-2-8-20-30)31-21-9-3-10-22-31)41-39(32-23-11-4-12-24-32)35-27-15-13-25-33(35)34-26-14-16-28-36(34)39/h1-28H,(H2,40,41,42)
InChIKey JNYVWCWFDLQBMM-UHFFFAOYSA-N
Mol Weight 542.7 g/mol
Molecular Formula C39H30N2O
Exact Mass 542.235814 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 75q3az1v5Np
Name 1-(9-Phenyl-9-fluorenyl)-3-(triphenylmethyl)urea
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.235813593 u
Formula C39H30N2O
InChI InChI=1S/C39H30N2O/c42-37(40-38(29-17-5-1-6-18-29,30-19-7-2-8-20-30)31-21-9-3-10-22-31)41-39(32-23-11-4-12-24-32)35-27-15-13-25-33(35)34-26-14-16-28-36(34)39/h1-28H,(H2,40,41,42)
InChIKey JNYVWCWFDLQBMM-UHFFFAOYSA-N
Molecular Weight 542.682 g/mol
SMILES C1(C2=C(C=CC=C2)C2=C1C=CC=C2)(NC(NC(C=1C=CC=CC1)(C=1C=CC=CC1)C=1C=CC=CC1)=O)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.964399