tris(3-methylphenyl)-propan-2-ylphosphanium

C24H28P+ — CID 142458565

IUPACtris(3-methylphenyl)-propan-2-ylphosphanium
SMILESCc1cccc([P+](c2cccc(C)c2)(c2cccc(C)c2)C(C)C)c1
InChIInChI=1S/C24H28P/c1-18(2)25(22-12-6-9-19(3)15-22,23-13-7-10-20(4)16-23)24-14-8-11-21(5)17-24/h6-18H,1-5H3/q+1
InChIKeyLRHSINBYDYLOQB-UHFFFAOYSA-N
MW347.46 g/mol
LogP5.31
Rot. Bonds4

About tris(3-methylphenyl)-propan-2-ylphosphanium

tris(3-methylphenyl)-propan-2-ylphosphanium (PubChem CID 142458565) has the molecular formula C24H28P+ and a molecular weight of 347.46 g/mol. Its IUPAC name is tris(3-methylphenyl)-propan-2-ylphosphanium.

Molecular Properties

Compound Nametris(3-methylphenyl)-propan-2-ylphosphanium
PubChem CID142458565
Molecular FormulaC24H28P+
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Nametris(3-methylphenyl)-propan-2-ylphosphanium
SMILESCc1cccc([P+](c2cccc(C)c2)(c2cccc(C)c2)C(C)C)c1
InChIInChI=1S/C24H28P/c1-18(2)25(22-12-6-9-19(3)15-22,23-13-7-10-20(4)16-23)24-14-8-11-21(5)17-24/h6-18H,1-5H3/q+1
InChIKeyLRHSINBYDYLOQB-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.31
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(3-methylphenyl)-propan-2-ylphosphanium?
The IUPAC name of tris(3-methylphenyl)-propan-2-ylphosphanium (CID 142458565) is tris(3-methylphenyl)-propan-2-ylphosphanium.
What is the SMILES notation for tris(3-methylphenyl)-propan-2-ylphosphanium?
The canonical SMILES for tris(3-methylphenyl)-propan-2-ylphosphanium is Cc1cccc([P+](c2cccc(C)c2)(c2cccc(C)c2)C(C)C)c1.
What is the InChIKey of tris(3-methylphenyl)-propan-2-ylphosphanium?
The InChIKey is LRHSINBYDYLOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28P/c1-18(2)25(22-12-6-9-19(3)15-22,23-13-7-10-20(4)16-23)24-14-8-11-21(5)17-24/h6-18H,1-5H3/q+1.
What are the key properties of tris(3-methylphenyl)-propan-2-ylphosphanium?
tris(3-methylphenyl)-propan-2-ylphosphanium has a molecular weight of 347.46 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-methylphenyl)-propan-2-ylphosphanium is sourced from PubChem (CID 142458565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).