tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane

C24H27PS — CID 54506506

IUPACtris(4-ethylphenyl)-sulfanylidene-λ5-phosphane
SMILESCCc1ccc(P(=S)(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1
InChIInChI=1S/C24H27PS/c1-4-19-7-13-22(14-8-19)25(26,23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3
InChIKeyYGBXUNGZDBLUEK-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.13
Rot. Bonds6

About tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane

tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane (PubChem CID 54506506) has the molecular formula C24H27PS and a molecular weight of 378.52 g/mol. Its IUPAC name is tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(4-ethylphenyl)-sulfanylidene-λ5-phosphane
PubChem CID54506506
Molecular FormulaC24H27PS
Molecular Weight378.52 g/mol
Exact Mass378.16
IUPAC Nametris(4-ethylphenyl)-sulfanylidene-λ5-phosphane
SMILESCCc1ccc(P(=S)(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1
InChIInChI=1S/C24H27PS/c1-4-19-7-13-22(14-8-19)25(26,23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3
InChIKeyYGBXUNGZDBLUEK-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane (CID 54506506) is tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane is CCc1ccc(P(=S)(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1.
What is the InChIKey of tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane?
The InChIKey is YGBXUNGZDBLUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27PS/c1-4-19-7-13-22(14-8-19)25(26,23-15-9-20(5-2)10-16-23)24-17-11-21(6-3)12-18-24/h7-18H,4-6H2,1-3H3.
What are the key properties of tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane?
tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane has a molecular weight of 378.52 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-ethylphenyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 54506506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).