tris(2,4-dimethylphenyl)phosphane

C24H27P — CID 11759772

IUPACtris(2,4-dimethylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C24H27P/c1-16-7-10-22(19(4)13-16)25(23-11-8-17(2)14-20(23)5)24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
InChIKeyXDHRVAHAGMMFMC-UHFFFAOYSA-N
MW346.45 g/mol
LogP5.30
Rot. Bonds3

About tris(2,4-dimethylphenyl)phosphane

tris(2,4-dimethylphenyl)phosphane (PubChem CID 11759772) has the molecular formula C24H27P and a molecular weight of 346.45 g/mol. Its IUPAC name is tris(2,4-dimethylphenyl)phosphane.

Molecular Properties

Compound Nametris(2,4-dimethylphenyl)phosphane
PubChem CID11759772
Molecular FormulaC24H27P
Molecular Weight346.45 g/mol
Exact Mass346.19
IUPAC Nametris(2,4-dimethylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1
InChIInChI=1S/C24H27P/c1-16-7-10-22(19(4)13-16)25(23-11-8-17(2)14-20(23)5)24-12-9-18(3)15-21(24)6/h7-15H,1-6H3
InChIKeyXDHRVAHAGMMFMC-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2,4-dimethylphenyl)phosphane?
The IUPAC name of tris(2,4-dimethylphenyl)phosphane (CID 11759772) is tris(2,4-dimethylphenyl)phosphane.
What is the SMILES notation for tris(2,4-dimethylphenyl)phosphane?
The canonical SMILES for tris(2,4-dimethylphenyl)phosphane is Cc1ccc(P(c2ccc(C)cc2C)c2ccc(C)cc2C)c(C)c1.
What is the InChIKey of tris(2,4-dimethylphenyl)phosphane?
The InChIKey is XDHRVAHAGMMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27P/c1-16-7-10-22(19(4)13-16)25(23-11-8-17(2)14-20(23)5)24-12-9-18(3)15-21(24)6/h7-15H,1-6H3.
What are the key properties of tris(2,4-dimethylphenyl)phosphane?
tris(2,4-dimethylphenyl)phosphane has a molecular weight of 346.45 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dimethylphenyl)phosphane is sourced from PubChem (CID 11759772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).