5H-Dibenzo[a,d][7]annulen-5-one - CAS 2222-33-5

Name: 5H-Dibenzo[a,d][7]annulen-5-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017453
Product Name:	5H-Dibenzo[a,d][7]annulen-5-one
CAS:	2222-33-5
Synonyms:	2-tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaenone; tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

Technical Data

IUPAC Name:	tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one
Description:	5-Dibenzosuberenone can be used in the synthesis of a series of potent antidepressants.
Molecular Weight:	206.24
Molecular Formula:	C15H10O
Canonical SMILES:	C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=O
InChI:	InChI=1S/C15H10O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-10H
InChI Key:	SNVTZAIYUGUKNI-UHFFFAOYSA-N
Boiling Point:	210 °C / 3 mmHg
Melting Point:	89-91 °C
Purity:	> 95 %
Density:	1.188 g/cm³
Appearance:	White to off-white solid
MDL:	MFCD00003588
LogP:	3.35320

GHS Hazard Statement:	H400 (30%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2020395554-A1	Compound and organic electro-optical device containing the same	20200515
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CN-111393305-A	Cyclobenzaprine hydrochloride synthesis method	20200327
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PMID	Publication Date	Title	Journal
19807079	20091106	Cage hydrocarbons derived from dibenzosuberenone	The Journal of organic chemistry
21201927	20080215	5-(4-Bromo-benzyl-idene)-5H-dibenzo[a,d][7]annulene	Acta crystallographica. Section E, Structure reports online
12630879	20030319	Cavity-directed synthesis within a self-assembled coordination cage: highly selective [2 + 2] cross-photodimerization of olefins	Journal of the American Chemical Society
11578218	20011005	Biradicals from benzoenyne-allenes. Application in the synthesis of 11H-benzo[b]fluoren-11-ols, 1H-cyclobut[a]indenes, and related compounds	The Journal of organic chemistry
10669262	19991215	Inhibitory effect of dibenzofuran and dibenzosuberol derivatives on rhinovirus replication in vitro; effective prevention of viral entry by dibenzosuberenone	Antiviral research

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.073164938
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.073164938
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2