Dibenzo[a,d]cyclohepten-5-one

C₁₅H₁₀OCAS 2222-33-5206.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₀O
Molar mass: 206.24 g/mol
Exact mass: 206.0732 Da
Melting point: 88.4–89.2 °C
Boiling point: 220 °C (at 8 Torr)
logP: 3.35Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H400 Very toxic to aquatic life18.4% of notifiers
H411 Toxic to aquatic life with long lasting effects40.8% of notifiers

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

2222-33-5

SMILES

O=c1c2ccccc2ccc2ccccc12

InChIKey

SNVTZAIYUGUKNI-UHFFFAOYSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

5H-Dibenzo[a,d]cyclohepten-5-one
2,3:6,7-Dibenzotropone
5H-Dibenzo[a,d]cycloheptenone
Dibenzosuberenone
5-Dibenzosuberenone
NSC 86151
Didehydrodibenzosuberone

Work with Dibenzo[a,d]cyclohepten-5-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Phenanthrene85-01-861 % similar Chrysene218-01-955 % similar Thioxanthone492-22-850 % similar Dibenz[a,h]anthracene53-70-350 % similar Acridone578-95-050 % similar Xanthone90-47-150 % similar Benz[a]anthracene56-55-346 % similar Pyrene-4,5,9,10-tetrone14727-71-045 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-Phenanthrenecarboxaldehyde4707-71-5 Anthracene-9-carbaldehyde642-31-9 Diphenylcyclopropenone886-38-4

Elsewhere

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