tris(4-methylphenyl)phosphane

C21H21P — CID 13956

IUPACtris(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyWXAZIUYTQHYBFW-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.37
Rot. Bonds3

About tris(4-methylphenyl)phosphane

tris(4-methylphenyl)phosphane (PubChem CID 13956) has the molecular formula C21H21P and a molecular weight of 304.37 g/mol. Its IUPAC name is tris(4-methylphenyl)phosphane.

Molecular Properties

Compound Nametris(4-methylphenyl)phosphane
PubChem CID13956
Molecular FormulaC21H21P
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Nametris(4-methylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKeyWXAZIUYTQHYBFW-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tris(4-methylphenyl)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-methylphenyl)phosphane?
The IUPAC name of tris(4-methylphenyl)phosphane (CID 13956) is tris(4-methylphenyl)phosphane.
What is the SMILES notation for tris(4-methylphenyl)phosphane?
The canonical SMILES for tris(4-methylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)phosphane?
The InChIKey is WXAZIUYTQHYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3.
What are the key properties of tris(4-methylphenyl)phosphane?
tris(4-methylphenyl)phosphane has a molecular weight of 304.37 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)phosphane is sourced from PubChem (CID 13956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).