Indeno[1,2,3-cd]pyrene

C₂₂H₁₂CAS 193-39-5276.34 g/mol

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Properties

Molecular formula: C₂₂H₁₂
Molar mass: 276.34 g/mol
Exact mass: 276.0939 Da
Melting point: 163.6 °C
Boiling point: 536 °C
logP: 6.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H351 Suspected of causing cancer76.9% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

193-39-5

SMILES

c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45

InChIKey

SXQBHARYMNFBPS-UHFFFAOYSA-N

InChI

InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H

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Names and synonyms

3 names

Indeno(1,2,3-cd)pyrene
1,10-(o-Phenylene)pyrene
1,10-(1,2-Phenylene)pyrene

Work with Indeno[1,2,3-cd]pyrene

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

Fluoranthene206-44-058 % similar Benzo[k]fluoranthene207-08-958 % similar Benzo[b]fluoranthene205-99-255 % similar Pyrene129-00-048 % similar Benzo[a]pyrene50-32-845 % similar Pyranthrone128-70-142 % similar 4-Bromopyrene1732-26-939 % similar Benzo[e]pyrene192-97-239 % similar

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

Same formula

Benzo[ghi]perylene191-24-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia