5,7-Dibenzoyl-2-(dimethylaminomethylidene)azulen-6-one

HCID 321471

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Basic information

CAS: 54125-80-3
Standard SMILES: CN(C)C=C1C=c2cc(C(=O)c3ccccc3)c(=O)c(C(=O)c3ccccc3)cc2=C1
InChIKey: LGVIBXIZJNBLGX-UHFFFAOYSA-N
Molecular formula: C27H21NO3
Average molar mass: 407.5 g/mol
Monoisotopic mass: 407.15214353

Names & identifiers

Preferred name: 5,7-Dibenzoyl-2-(dimethylaminomethylidene)azulen-6-one
IUPAC: 5,7-dibenzoyl-2-(dimethylaminomethylidene)azulen-6-one

Names & synonyms

54125-80-35,7-dibenzoyl-2-(dimethylaminomethylidene)azulen-6-oneNSC272552DTXSID00313566NSC-2725525,7-Dibenzoyl-2-[(dimethylamino)methylidene]azulen-6(2H)-one

Database identifiers

CAS: 54125-80-3
PubChem CID: 321471
DTXSID: DTXSID00313566

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 54.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 31
Formal charge: 0
Complexity: 862

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