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

Inquiry

Molecular Formula:

C15H10O

Molecular Weight:

206.24

CAS Number:

2222-33-5

Catalog Number:

2222-33-5

Product Information

Molecular Formula:

C15H10O

Molecular Weight:

206.24

Description

5-Dibenzosuberenone can be used in the synthesis of a series of potent antidepressants.

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

IUPAC Name

tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

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

LogP

3.35320

Safety Information

Hazards

H410:
Very toxic to aquatic life with long-lasting effects.

Precautionary Statement

P273, P391, and P501

Signal Word

Warning

Computed Properties

XLogP3

4.2

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

206.073164938 g/mol

Monoisotopic Mass

206.073164938 g/mol

Topological Polar Surface Area

17.1Å²

Heavy Atom Count

Formal Charge

Complexity

277

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

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US-2022056161-A1	Articles comprising crosslinked polymer network comprising thioether crosslinks and process of making and using same	2020-08-21
KR-20220018357-A	Lithium metal composite electrodes and manufacturing method thereof	2020-08-06
WO-2022023737-A1	Additive manufacturing composition for 3-d printed object	2020-07-28
EP-3936572-A1	Method for preparing a 3d-printed silicone	2020-07-10
WO-2022008721-A1	Method for preparing a 3d-printed silicone	2020-07-10
KR-20210153951-A	Hydrophilic fine-pattern stamp and manufacturing method thereof	2020-06-11
KR-20210154110-A	Hydrophilic fine-pattern stamp and manufacturing method thereof	2020-06-11
WO-2021240149-A1	Oil and water separation membrane	2020-05-27
WO-2021240150-A1	Oil and water separation membrane	2020-05-27
US-11188185-B1	Integrate metal mesh touch sensor and cover lens	2020-05-26

Literatures

PMID	Publication Date	Title	Journal
19807079	2009-11-06	Cage hydrocarbons derived from dibenzosuberenone	The Journal of organic chemistry
21201927	2008-02-15	5-(4-Bromo-benzyl-idene)-5H-dibenzo[a,d][7]annulene	Acta crystallographica. Section E, Structure reports online
12630879	2003-03-19	Cavity-directed synthesis within a self-assembled coordination cage: highly selective [2 + 2] cross-photodimerization of olefins	Journal of the American Chemical Society
11578218	2001-10-05	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	1999-12-15	Inhibitory effect of dibenzofuran and dibenzosuberol derivatives on rhinovirus replication in vitro; effective prevention of viral entry by dibenzosuberenone	Antiviral research

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The dilution calculator equation

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