tris(2-methylphenyl)-prop-2-enylphosphanium

C24H26P+ — CID 87506134

IUPACtris(2-methylphenyl)-prop-2-enylphosphanium
SMILESC=CC[P+](c1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H26P/c1-5-18-25(22-15-9-6-12-19(22)2,23-16-10-7-13-20(23)3)24-17-11-8-14-21(24)4/h5-17H,1,18H2,2-4H3/q+1
InChIKeySDIAHUHGCOUTIA-UHFFFAOYSA-N
MW345.45 g/mol
LogP5.09
Rot. Bonds5

About tris(2-methylphenyl)-prop-2-enylphosphanium

tris(2-methylphenyl)-prop-2-enylphosphanium (PubChem CID 87506134) has the molecular formula C24H26P+ and a molecular weight of 345.45 g/mol. Its IUPAC name is tris(2-methylphenyl)-prop-2-enylphosphanium.

Molecular Properties

Compound Nametris(2-methylphenyl)-prop-2-enylphosphanium
PubChem CID87506134
Molecular FormulaC24H26P+
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Nametris(2-methylphenyl)-prop-2-enylphosphanium
SMILESC=CC[P+](c1ccccc1C)(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H26P/c1-5-18-25(22-15-9-6-12-19(22)2,23-16-10-7-13-20(23)3)24-17-11-8-14-21(24)4/h5-17H,1,18H2,2-4H3/q+1
InChIKeySDIAHUHGCOUTIA-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(2-methylphenyl)-prop-2-enylphosphanium?
The IUPAC name of tris(2-methylphenyl)-prop-2-enylphosphanium (CID 87506134) is tris(2-methylphenyl)-prop-2-enylphosphanium.
What is the SMILES notation for tris(2-methylphenyl)-prop-2-enylphosphanium?
The canonical SMILES for tris(2-methylphenyl)-prop-2-enylphosphanium is C=CC[P+](c1ccccc1C)(c1ccccc1C)c1ccccc1C.
What is the InChIKey of tris(2-methylphenyl)-prop-2-enylphosphanium?
The InChIKey is SDIAHUHGCOUTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26P/c1-5-18-25(22-15-9-6-12-19(22)2,23-16-10-7-13-20(23)3)24-17-11-8-14-21(24)4/h5-17H,1,18H2,2-4H3/q+1.
What are the key properties of tris(2-methylphenyl)-prop-2-enylphosphanium?
tris(2-methylphenyl)-prop-2-enylphosphanium has a molecular weight of 345.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-methylphenyl)-prop-2-enylphosphanium is sourced from PubChem (CID 87506134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).