bis[bis(diphenylphosphanyl)methyl]mercury

C50H42HgP4 — CID 71335163

IUPACbis[bis(diphenylphosphanyl)methyl]mercury
SMILESc1ccc(P(c2ccccc2)C([Hg]C(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H21P2.Hg/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h2*1-21H;
InChIKeyKQLXKPWHSHDAOS-UHFFFAOYSA-N
MW967.37 g/mol
LogP10.17
Rot. Bonds14

About bis[bis(diphenylphosphanyl)methyl]mercury

bis[bis(diphenylphosphanyl)methyl]mercury (PubChem CID 71335163) has the molecular formula C50H42HgP4 and a molecular weight of 967.37 g/mol. Its IUPAC name is bis[bis(diphenylphosphanyl)methyl]mercury.

Molecular Properties

Compound Namebis[bis(diphenylphosphanyl)methyl]mercury
PubChem CID71335163
Molecular FormulaC50H42HgP4
Molecular Weight967.37 g/mol
Exact Mass968.19
IUPAC Namebis[bis(diphenylphosphanyl)methyl]mercury
SMILESc1ccc(P(c2ccccc2)C([Hg]C(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C25H21P2.Hg/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h2*1-21H;
InChIKeyKQLXKPWHSHDAOS-UHFFFAOYSA-N
XLogP10.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.37
LogP ≤ 510.17
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'}

Analyze bis[bis(diphenylphosphanyl)methyl]mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
diphenyl-[1,4,4-tris(diphenylphosphanyl)butyl]phosphane
CID 10898452
2-diphenylphosphanylethane-1,1,2-triol
CID 174746690
1,3-bis(diphenylphosphanyl)propyl-diphenylphosphane
CID 140514716
dichloronickel;[(2R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 88642037
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946
2,2-bis(diphenylphosphanyl)ethanedithioate
CID 102010379
1-diphenylphosphanylethane-1,2-diamine
CID 70150427
triphenylphosphane
CID 139056248
bis([(2S,4S)-4-diphenylphosphanylpentan-2-yl]-diphenylphosphane);bis(iridium);tetraiodide
CID 11446268
2-diphenylphosphanylpropanoic acid
CID 14902743
(5-diphenylphosphanyl-3,4-diphenylhexan-2-yl)-diphenylphosphane
CID 23403284

Frequently Asked Questions

What is the IUPAC name of bis[bis(diphenylphosphanyl)methyl]mercury?
The IUPAC name of bis[bis(diphenylphosphanyl)methyl]mercury (CID 71335163) is bis[bis(diphenylphosphanyl)methyl]mercury.
What is the SMILES notation for bis[bis(diphenylphosphanyl)methyl]mercury?
The canonical SMILES for bis[bis(diphenylphosphanyl)methyl]mercury is c1ccc(P(c2ccccc2)C([Hg]C(P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis[bis(diphenylphosphanyl)methyl]mercury?
The InChIKey is KQLXKPWHSHDAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H21P2.Hg/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h2*1-21H;.
What are the key properties of bis[bis(diphenylphosphanyl)methyl]mercury?
bis[bis(diphenylphosphanyl)methyl]mercury has a molecular weight of 967.37 g/mol, XLogP of 10.17, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[bis(diphenylphosphanyl)methyl]mercury is sourced from PubChem (CID 71335163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).