bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold

C40H38Au2P2Se2-4 — CID 134901723

IUPACbis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold
SMILES[Au].[Au].[CH2-]P([CH2-])([Se]c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])([Se]c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C20H19PSe.2Au/c2*1-21(2,18-12-6-3-7-13-18,19-14-8-4-9-15-19)22-20-16-10-5-11-17-20;;/h2*3-17H,1-2H2;;/q2*-2;;
InChIKeyCLMBRWFDGQQWFJ-UHFFFAOYSA-N
MW1132.55 g/mol
LogP7.43
Rot. Bonds8

About bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold

bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold (PubChem CID 134901723) has the molecular formula C40H38Au2P2Se2-4 and a molecular weight of 1132.55 g/mol. Its IUPAC name is bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold.

Molecular Properties

Compound Namebis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold
PubChem CID134901723
Molecular FormulaC40H38Au2P2Se2-4
Molecular Weight1132.55 g/mol
Exact Mass1134.01
IUPAC Namebis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold
SMILES[Au].[Au].[CH2-]P([CH2-])([Se]c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])([Se]c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C20H19PSe.2Au/c2*1-21(2,18-12-6-3-7-13-18,19-14-8-4-9-15-19)22-20-16-10-5-11-17-20;;/h2*3-17H,1-2H2;;/q2*-2;;
InChIKeyCLMBRWFDGQQWFJ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001132.55
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(triphenylphosphine)palladium
CID 11979704
Stryker's reagent
CID 11982471
Bis(2-(diphenylphosphino)ethyl)phenylphosphine
CID 90192
(T-4)-Iodotris(triphenylphosphine)copper
CID 11389026
Tris(2-(diphenylphosphino)ethyl)phosphine
CID 98777
Platinum, tetrakis(triphenylphosphine)-, (T-4)-
CID 11979705
Triphenyl(2-(triphenylphosphoranyl)ethyl)phosphorane
CID 2785216
Phosphonium, (triphenylphosphoranyl)methylene(triphenyl-, iodide
CID 205781
Ethylenebis(triphenylphosphine)platinum(0)
CID 2734701
Methanetriyltris(diphenylphosphane)
CID 3255345
Chloro(cyclopentadienyl)bis(triphenylphosphine)ruthenium(II)
CID 10887092
Propane-1,3-diylbis[triphenylphosphonium] dibromide
CID 361866

Frequently Asked Questions

What is the IUPAC name of bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold?
The IUPAC name of bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold (CID 134901723) is bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold.
What is the SMILES notation for bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold?
The canonical SMILES for bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold is [Au].[Au].[CH2-]P([CH2-])([Se]c1ccccc1)(c1ccccc1)c1ccccc1.[CH2-]P([CH2-])([Se]c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold?
The InChIKey is CLMBRWFDGQQWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19PSe.2Au/c2*1-21(2,18-12-6-3-7-13-18,19-14-8-4-9-15-19)22-20-16-10-5-11-17-20;;/h2*3-17H,1-2H2;;/q2*-2;;.
What are the key properties of bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold?
bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold has a molecular weight of 1132.55 g/mol, XLogP of 7.43, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethanidyl-diphenyl-phenylselanyl-λ5-phosphane);gold is sourced from PubChem (CID 134901723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).