N-(5-Phenyldibenzo[a,d]-5-cycloheptenyl)-N'-triphenylmethylurea

SpectraBase Compound ID	DMnEkgICPx2
InChI	InChI=1S/C41H32N2O/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/h1-30H,(H2,42,43,44)
InChIKey	VQOSNAMYNVBNBK-UHFFFAOYSA-N Google Search
Mol Weight	568.7 g/mol
Molecular Formula	C41H32N2O
Exact Mass	568.251464 g/mol

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SpectraBase Spectrum ID	9UuVbGDHtTF
Name	N-(5-Phenyldibenzo[A,D]-5-cycloheptenyl)-N'-triphenylmethylurea
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	568.251463657 u
Formula	C41H32N2O
InChI	InChI=1S/C41H32N2O/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/h1-30H,(H2,42,43,44)
InChIKey	VQOSNAMYNVBNBK-UHFFFAOYSA-N
Molecular Weight	568.720 g/mol
SMILES	C1(NC(NC(C=2C=CC=CC2)(C2=CC=CC=C2)C2=CC=CC=C2)=O)(C=2C(C=CC=3C1=CC=CC3)=CC=CC2)C=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR)	0.977999