Perylene

C₂₀H₁₂CAS 198-55-0252.32 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₁₂
Molar mass: 252.32 g/mol
Exact mass: 252.0939 Da
Density: 1.35 g/mL
Melting point: 273–274 °C
Boiling point: 497 °C
Water solubility: 0.4 µg/L (25 °C)
logP: 5.74Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H351 Suspected of causing cancer20% of notifiers
H410 Very toxic to aquatic life with long lasting effects20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P273, P280, P318, P391, P405, P501

Identifiers

CAS number

198-55-0

SMILES

c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

InChIKey

CSHWQDPOILHKBI-UHFFFAOYSA-N

InChI

InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H

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Names and synonyms

4 names

Dibenz[de,kl]anthracene
Peri-Dinaphthalene
α-Perylene
NSC 6512

Work with Perylene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tribenzo[de,kl,rst]pentaphene188-72-787 % similar Benzo[ghi]perylene191-24-275 % similar Pyrene129-00-060 % similar 1,8-Dibromonaphtalene17135-74-947 % similar Fluoranthene206-44-047 % similar 1,1′-Binaphthyl604-53-547 % similar Phenanthrene85-01-847 % similar Dibenzo[a,h]pyrene189-64-045 % similar

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

Same formula

Benzo[e]pyrene192-97-2 Benzo[b]fluoranthene205-99-2 Benzo[k]fluoranthene207-08-9 Benzo[a]pyrene50-32-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia