1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone

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Basic information

CAS: 5442-86-4
Standard SMILES: CCCCCN(CCCCC)CCC(=O)c1ccc2cc(Br)c3ccccc3c2c1
InChIKey: JEVXMVOSLSJJOF-UHFFFAOYSA-N
Molecular formula: C27H34BrNO
Average molar mass: 468.5 g/mol
Monoisotopic mass: 467.18238

Names & identifiers

Preferred name: 1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone
IUPAC: 1-(9-bromophenanthren-3-yl)-3-(dipentylamino)propan-1-one

Names & synonyms

1-(9-Bromo-3-phenanthryl)-3-(dipentylamino)-1-propanone5442-86-4NSC 13849NSC138491-(9-bromophenanthren-3-yl)-3-(dipentylamino)propan-1-oneDTXSID802028231-(9-bromo-3-phenanthryl)-3-(dipentylamino)propan-1-one

Database identifiers

CAS: 5442-86-4
PubChem CID: 408534
DTXSID: DTXSID80202823

Properties

Computed structural properties

XLogP: 8.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 30
Formal charge: 0
Complexity: 499

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