tris(4-chlorophenyl)-methylphosphanium iodide

C19H15Cl3IP — CID 2778284

IUPACtris(4-chlorophenyl)-methylphosphanium iodide
SMILESC[P+](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C19H15Cl3P.HI/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19;/h2-13H,1H3;1H/q+1;/p-1
InChIKeyGDIPCBMBNUUGGJ-UHFFFAOYSA-M
MW507.57 g/mol
LogP2.57
Rot. Bonds3

About tris(4-chlorophenyl)-methylphosphanium iodide

tris(4-chlorophenyl)-methylphosphanium iodide (PubChem CID 2778284) has the molecular formula C19H15Cl3IP and a molecular weight of 507.57 g/mol. Its IUPAC name is tris(4-chlorophenyl)-methylphosphanium iodide.

Molecular Properties

Compound Nametris(4-chlorophenyl)-methylphosphanium iodide
PubChem CID2778284
Molecular FormulaC19H15Cl3IP
Molecular Weight507.57 g/mol
Exact Mass505.90
IUPAC Nametris(4-chlorophenyl)-methylphosphanium iodide
SMILESC[P+](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[I-]
InChIInChI=1S/C19H15Cl3P.HI/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19;/h2-13H,1H3;1H/q+1;/p-1
InChIKeyGDIPCBMBNUUGGJ-UHFFFAOYSA-M
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.57
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(4-chlorophenyl)-methylphosphanium iodide?
The IUPAC name of tris(4-chlorophenyl)-methylphosphanium iodide (CID 2778284) is tris(4-chlorophenyl)-methylphosphanium iodide.
What is the SMILES notation for tris(4-chlorophenyl)-methylphosphanium iodide?
The canonical SMILES for tris(4-chlorophenyl)-methylphosphanium iodide is C[P+](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[I-].
What is the InChIKey of tris(4-chlorophenyl)-methylphosphanium iodide?
The InChIKey is GDIPCBMBNUUGGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15Cl3P.HI/c1-23(17-8-2-14(20)3-9-17,18-10-4-15(21)5-11-18)19-12-6-16(22)7-13-19;/h2-13H,1H3;1H/q+1;/p-1.
What are the key properties of tris(4-chlorophenyl)-methylphosphanium iodide?
tris(4-chlorophenyl)-methylphosphanium iodide has a molecular weight of 507.57 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chlorophenyl)-methylphosphanium iodide is sourced from PubChem (CID 2778284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).