bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane

C32H36P2S2Se — CID 102190116

IUPACbis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane
SMILESS=P(CCc1ccccc1)(CCc1ccccc1)[Se]P(=S)(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C32H36P2S2Se/c35-33(25-21-29-13-5-1-6-14-29,26-22-30-15-7-2-8-16-30)37-34(36,27-23-31-17-9-3-10-18-31)28-24-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyWZBUNALJLKSJRY-UHFFFAOYSA-N
MW625.68 g/mol
LogP8.45
Rot. Bonds14

About bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane

bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane (PubChem CID 102190116) has the molecular formula C32H36P2S2Se and a molecular weight of 625.68 g/mol. Its IUPAC name is bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane
PubChem CID102190116
Molecular FormulaC32H36P2S2Se
Molecular Weight625.68 g/mol
Exact Mass626.09
IUPAC Namebis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane
SMILESS=P(CCc1ccccc1)(CCc1ccccc1)[Se]P(=S)(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C32H36P2S2Se/c35-33(25-21-29-13-5-1-6-14-29,26-22-30-15-7-2-8-16-30)37-34(36,27-23-31-17-9-3-10-18-31)28-24-32-19-11-4-12-20-32/h1-20H,21-28H2
InChIKeyWZBUNALJLKSJRY-UHFFFAOYSA-N
XLogP8.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.68
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
bis(2-phenylethyl)-selanylidene-selenido-λ5-phosphane
CID 46910600
2-dichlorophosphorylethylbenzene
CID 15169214
hafnium;2-phenylethylbenzene
CID 173109801
diphenyl-(2-phenylethyl)-selanylidene-λ5-phosphane
CID 132605440
4-phenylbutylbenzene
CID 141301927
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
[hydroxy(2-phenylethyl)phosphoryl]formic acid
CID 69405500
[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
CID 162515513
1,4-bis(3-phenylpropyl)benzene
CID 59467322

Frequently Asked Questions

What is the IUPAC name of bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane (CID 102190116) is bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane is S=P(CCc1ccccc1)(CCc1ccccc1)[Se]P(=S)(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane?
The InChIKey is WZBUNALJLKSJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36P2S2Se/c35-33(25-21-29-13-5-1-6-14-29,26-22-30-15-7-2-8-16-30)37-34(36,27-23-31-17-9-3-10-18-31)28-24-32-19-11-4-12-20-32/h1-20H,21-28H2.
What are the key properties of bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane?
bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane has a molecular weight of 625.68 g/mol, XLogP of 8.45, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenylethyl)phosphinothioylselanyl-bis(2-phenylethyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102190116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).