DIBENZO(def,p)CHRYSENE-10-CARBOXALDEHYDE

HCID 17875

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Basic information

CAS: 2869-59-2
Standard SMILES: O=Cc1cccc2cc3ccc4cccc5c6ccccc6c(c12)c3c45
InChIKey: DVAKHPKKSJBUQF-UHFFFAOYSA-N
Molecular formula: C25H14O
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.10446507

Names & identifiers

Preferred name: DIBENZO(def,p)CHRYSENE-10-CARBOXALDEHYDE
IUPAC: hexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-1(22),2,4,6,8,10,12(24),13,15(23),16,18,20-dodecaene-21-carbaldehyde
English name: Dibenzo[def,p]chrysene-10-carbaldehyde
Molecular formula: C25H14O
Molecular weight: 330.38

Names & synonyms

BRN 1996013DIBENZO(def,p)CHRYSENE-10-CARBOXALDEHYDE5-Formyl-1,2:3,4-dibenzopyreneDTXSID20951348Dibenzo[def,p]chrysene-10-carbaldehydeNaphtho[1,2,3,4-pqr]tetraphene-14-carbaldehydeDibenzo[def,p]chrysene-10-carboxaldehyde

Database identifiers

CAS: 2869-59-2
PubChem CID: 17875
DTXSID: DTXSID20951348

Properties

Computed structural properties

XLogP: 7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 26
Formal charge: 0
Complexity: 554

Physicochemical properties

Boiling point: 427.82 °C · 427.82°C (rough estimate)
Density: 1.0905 · 1.0905 (rough estimate)
refractive index: 1.638 · 1.6380 (estimate)

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