(2,3,4-triphenylphenyl)sulfanylmethylphosphane

C25H21PS — CID 23186709

IUPAC(2,3,4-triphenylphenyl)sulfanylmethylphosphane
SMILESPCSc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21PS/c26-18-27-23-17-16-22(19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)25(23)21-14-8-3-9-15-21/h1-17H,18,26H2
InChIKeyHNYKNWYPPRGUTJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP7.61
Rot. Bonds5

About (2,3,4-triphenylphenyl)sulfanylmethylphosphane

(2,3,4-triphenylphenyl)sulfanylmethylphosphane (PubChem CID 23186709) has the molecular formula C25H21PS and a molecular weight of 384.48 g/mol. Its IUPAC name is (2,3,4-triphenylphenyl)sulfanylmethylphosphane.

Molecular Properties

Compound Name(2,3,4-triphenylphenyl)sulfanylmethylphosphane
PubChem CID23186709
Molecular FormulaC25H21PS
Molecular Weight384.48 g/mol
Exact Mass384.11
IUPAC Name(2,3,4-triphenylphenyl)sulfanylmethylphosphane
SMILESPCSc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H21PS/c26-18-27-23-17-16-22(19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)25(23)21-14-8-3-9-15-21/h1-17H,18,26H2
InChIKeyHNYKNWYPPRGUTJ-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-triphenylphenyl)sulfanylmethylphosphane?
The IUPAC name of (2,3,4-triphenylphenyl)sulfanylmethylphosphane (CID 23186709) is (2,3,4-triphenylphenyl)sulfanylmethylphosphane.
What is the SMILES notation for (2,3,4-triphenylphenyl)sulfanylmethylphosphane?
The canonical SMILES for (2,3,4-triphenylphenyl)sulfanylmethylphosphane is PCSc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (2,3,4-triphenylphenyl)sulfanylmethylphosphane?
The InChIKey is HNYKNWYPPRGUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21PS/c26-18-27-23-17-16-22(19-10-4-1-5-11-19)24(20-12-6-2-7-13-20)25(23)21-14-8-3-9-15-21/h1-17H,18,26H2.
What are the key properties of (2,3,4-triphenylphenyl)sulfanylmethylphosphane?
(2,3,4-triphenylphenyl)sulfanylmethylphosphane has a molecular weight of 384.48 g/mol, XLogP of 7.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-triphenylphenyl)sulfanylmethylphosphane is sourced from PubChem (CID 23186709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).