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N-(5-Phenyldibenzo[a,d][1,4]-5-cycloheptanyl)-N'-triphenylmethylurea

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N-(5-Phenyldibenzo[a,d][1,4]-5-cycloheptanyl)-N'-triphenylmethylurea
SpectraBase Compound ID KK36A75lHuB
InChI InChI=1S/C41H34N2O/c44-39(42-40(33-19-5-1-6-20-33,34-21-7-2-8-22-34)35-23-9-3-10-24-35)43-41(36-25-11-4-12-26-36)37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)41/h1-28H,29-30H2,(H2,42,43,44)
InChIKey BOWQVMCWLLVZQR-UHFFFAOYSA-N
Mol Weight 570.7 g/mol
Molecular Formula C41H34N2O
Exact Mass 570.267114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFpH8FJ7JmF
Name N-(5-Phenyldibenzo[A,D][1,4]-5-cycloheptanyl)-N'-triphenylmethylurea
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 570.267113722 u
Formula C41H34N2O
InChI InChI=1S/C41H34N2O/c44-39(42-40(33-19-5-1-6-20-33,34-21-7-2-8-22-34)35-23-9-3-10-24-35)43-41(36-25-11-4-12-26-36)37-27-15-13-17-31(37)29-30-32-18-14-16-28-38(32)41/h1-28H,29-30H2,(H2,42,43,44)
InChIKey BOWQVMCWLLVZQR-UHFFFAOYSA-N
Molecular Weight 570.736 g/mol
SMILES C1(NC(NC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=O)(C2=C(CCC3=C1C=CC=C3)C=CC=C2)C=1C=CC=CC1