mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride

C36H24Cl8HgP2 — CID 3057500

IUPACmercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride
SMILESClc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[Cl-].[Cl-].[Hg+2]
InChIInChI=1S/2C18H12Cl3P.2ClH.Hg/c2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;/h2*1-12H;2*1H;/q;;;;+2/p-2
InChIKeyVLMAPEVJDNNONK-UHFFFAOYSA-L
MW1002.75 g/mol
LogP4.82
Rot. Bonds6

About mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride

mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride (PubChem CID 3057500) has the molecular formula C36H24Cl8HgP2 and a molecular weight of 1002.75 g/mol. Its IUPAC name is mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride.

Molecular Properties

Compound Namemercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride
PubChem CID3057500
Molecular FormulaC36H24Cl8HgP2
Molecular Weight1002.75 g/mol
Exact Mass999.86
IUPAC Namemercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride
SMILESClc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[Cl-].[Cl-].[Hg+2]
InChIInChI=1S/2C18H12Cl3P.2ClH.Hg/c2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;/h2*1-12H;2*1H;/q;;;;+2/p-2
InChIKeyVLMAPEVJDNNONK-UHFFFAOYSA-L
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001002.75
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride?
The IUPAC name of mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride (CID 3057500) is mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride.
What is the SMILES notation for mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride?
The canonical SMILES for mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride is Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.Clc1ccc(P(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.[Cl-].[Cl-].[Hg+2].
What is the InChIKey of mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride?
The InChIKey is VLMAPEVJDNNONK-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H12Cl3P.2ClH.Hg/c2*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;;;/h2*1-12H;2*1H;/q;;;;+2/p-2.
What are the key properties of mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride?
mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride has a molecular weight of 1002.75 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);bis(tris(4-chlorophenyl)phosphane);dichloride is sourced from PubChem (CID 3057500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).