CAS 2222-33-5|5-Dibenzosuberenone|tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one|tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one|5H-Dibenzo[a,d]cyclohepten-5-o...

General Information

Structure

Molecular Formula

C₁₅H₁₀O

Molecular Mass

206.2393

Exact Mass

206.07316494

Charge

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

InChIKey

SNVTZAIYUGUKNI-UHFFFAOYSA-N

Canonic Smiles

O=c1c2ccccc2ccc2c1cccc2

Isomeric Smiles

O=c1c2c(cccc2)ccc2c1cccc2

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.799194

LogD (pH = 7.4)

3.799194

Log P

3.799194

Molar Refractivity

66.0303

Polarizability

24.902523

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

5-Dibenzosuberenone5H-Dibenzo[a,d]cyclohepten-5-one5H-Dibenzo[a,d]cylohepten-5-oneDIBENZOSUBERENONE5-二苯并环庚烯酮5-Dibenzosuberenone5H-Dibenzo[a,d][7]annulen-5-oneDibenzo[a,d]cyclohepten-5-oneNSC 861515-Dibenzosuberenone5H-二苯并[a,d]环庚三烯-5-酮2,3:6,7-DibenzotroponeDibenzosuberenone5H-Dibenzo[a,d]cycloheptenone二苯并庚烯酮Dibenzosuberenone

IUPAC Traditional name

tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

IUPAC name

tricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-one

Names and Identifiers

Registration numbers

MDL Number

MFCD00003588

CAS Number

2222-33-5

EC Number

218-737-3