[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury

C26H19BrHgOP — CID 11228065

IUPAC[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury
SMILESO=C(C([Hg])=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C26H19BrOP.Hg/c27-22-18-16-21(17-19-22)26(28)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H;
InChIKeyIVCKZDAWJGHWNG-UHFFFAOYSA-N
MW658.91 g/mol
LogP5.30
Rot. Bonds5

About [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury

[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury (PubChem CID 11228065) has the molecular formula C26H19BrHgOP and a molecular weight of 658.91 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury
PubChem CID11228065
Molecular FormulaC26H19BrHgOP
Molecular Weight658.91 g/mol
Exact Mass659.01
IUPAC Name[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury
SMILESO=C(C([Hg])=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C26H19BrOP.Hg/c27-22-18-16-21(17-19-22)26(28)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H;
InChIKeyIVCKZDAWJGHWNG-UHFFFAOYSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.91
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury;2,2,2-trifluoroacetic acid
CID 11228064
1-(4-bromophenyl)-2-diphenylphosphoryloxyethanone
CID 175041062
N-(4-bromophenyl)-2-oxo-2-phenylacetamide
CID 15620422
(E)-2-(4-bromophenyl)-1-phenylbut-2-en-1-one
CID 135044201
2-(4-bromophenyl)-2-oxoacetyl bromide
CID 57469239
1-(4-bromophenyl)-4-phenylbutane-1,2,4-trione
CID 162856895
4-(4-bromophenyl)-1-phenylbutane-1,2,4-trione
CID 162997615
benzene;1-(4-bromophenyl)ethanone
CID 174710467
1-(4-bromophenyl)-2-[hydroxy(phenyl)methylidene]butane-1,3-dione
CID 7308092
methyl 3-oxo-3-phenyl-2-(triphenyl-λ5-phosphanylidene)propanoate
CID 4131617
(4-bromophenyl)-(4-phenoxyphenyl)methanone
CID 139928353
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury?
The IUPAC name of [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury (CID 11228065) is [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury.
What is the SMILES notation for [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury?
The canonical SMILES for [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury is O=C(C([Hg])=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury?
The InChIKey is IVCKZDAWJGHWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19BrOP.Hg/c27-22-18-16-21(17-19-22)26(28)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H;.
What are the key properties of [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury?
[2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury has a molecular weight of 658.91 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2-oxo-1-(triphenyl-lambda5-phosphanylidene)ethyl]mercury is sourced from PubChem (CID 11228065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).