2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane

C28H28P2S — CID 15510561

IUPAC2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane
SMILESc1ccc(P(CCSCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2S/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)21-23-31-24-22-30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyDHRJGXHTFLKWEY-UHFFFAOYSA-N
MW458.55 g/mol
LogP5.99
Rot. Bonds10

About 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane

2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane (PubChem CID 15510561) has the molecular formula C28H28P2S and a molecular weight of 458.55 g/mol. Its IUPAC name is 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane.

Molecular Properties

Compound Name2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane
PubChem CID15510561
Molecular FormulaC28H28P2S
Molecular Weight458.55 g/mol
Exact Mass458.14
IUPAC Name2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane
SMILESc1ccc(P(CCSCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28P2S/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)21-23-31-24-22-30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2
InChIKeyDHRJGXHTFLKWEY-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.55
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane?
The IUPAC name of 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane (CID 15510561) is 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane.
What is the SMILES notation for 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane?
The canonical SMILES for 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane is c1ccc(P(CCSCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane?
The InChIKey is DHRJGXHTFLKWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28P2S/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)21-23-31-24-22-30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20H,21-24H2.
What are the key properties of 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane?
2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane has a molecular weight of 458.55 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphanylethylsulfanyl)ethyl-diphenylphosphane is sourced from PubChem (CID 15510561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).