2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane

C34H32OP2S — CID 11284267

IUPAC2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane
SMILESc1ccc(P(CCOc2ccc(SCCP(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C34H32OP2S/c1-5-13-30(14-6-1)36(31-15-7-2-8-16-31)26-25-35-29-21-23-34(24-22-29)38-28-27-37(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-24H,25-28H2
InChIKeyPXMSMFRNKIVKBT-UHFFFAOYSA-N
MW550.64 g/mol
LogP7.42
Rot. Bonds12

About 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane

2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane (PubChem CID 11284267) has the molecular formula C34H32OP2S and a molecular weight of 550.64 g/mol. Its IUPAC name is 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane.

Molecular Properties

Compound Name2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane
PubChem CID11284267
Molecular FormulaC34H32OP2S
Molecular Weight550.64 g/mol
Exact Mass550.16
IUPAC Name2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane
SMILESc1ccc(P(CCOc2ccc(SCCP(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1
InChIInChI=1S/C34H32OP2S/c1-5-13-30(14-6-1)36(31-15-7-2-8-16-31)26-25-35-29-21-23-34(24-22-29)38-28-27-37(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-24H,25-28H2
InChIKeyPXMSMFRNKIVKBT-UHFFFAOYSA-N
XLogP7.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.64
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane?
The IUPAC name of 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane (CID 11284267) is 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane.
What is the SMILES notation for 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane?
The canonical SMILES for 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane is c1ccc(P(CCOc2ccc(SCCP(c3ccccc3)c3ccccc3)cc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane?
The InChIKey is PXMSMFRNKIVKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32OP2S/c1-5-13-30(14-6-1)36(31-15-7-2-8-16-31)26-25-35-29-21-23-34(24-22-29)38-28-27-37(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-24H,25-28H2.
What are the key properties of 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane?
2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane has a molecular weight of 550.64 g/mol, XLogP of 7.42, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-diphenylphosphanylethoxy)phenyl]sulfanylethyl-diphenylphosphane is sourced from PubChem (CID 11284267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).