tris(4-chlorophenyl)phosphanium

C18H13Cl3P+ — CID 23413716

IUPACtris(4-chlorophenyl)phosphanium
SMILESClc1ccc([PH+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/p+1
InChIKeyIQKSLJOIKWOGIZ-UHFFFAOYSA-O
MW366.64 g/mol
LogP5.14
Rot. Bonds3

About tris(4-chlorophenyl)phosphanium

tris(4-chlorophenyl)phosphanium (PubChem CID 23413716) has the molecular formula C18H13Cl3P+ and a molecular weight of 366.64 g/mol. Its IUPAC name is tris(4-chlorophenyl)phosphanium.

Molecular Properties

Compound Nametris(4-chlorophenyl)phosphanium
PubChem CID23413716
Molecular FormulaC18H13Cl3P+
Molecular Weight366.64 g/mol
Exact Mass364.98
IUPAC Nametris(4-chlorophenyl)phosphanium
SMILESClc1ccc([PH+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/p+1
InChIKeyIQKSLJOIKWOGIZ-UHFFFAOYSA-O
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.64
LogP ≤ 55.14
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(4-chlorophenyl)phosphanium?
The IUPAC name of tris(4-chlorophenyl)phosphanium (CID 23413716) is tris(4-chlorophenyl)phosphanium.
What is the SMILES notation for tris(4-chlorophenyl)phosphanium?
The canonical SMILES for tris(4-chlorophenyl)phosphanium is Clc1ccc([PH+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of tris(4-chlorophenyl)phosphanium?
The InChIKey is IQKSLJOIKWOGIZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H12Cl3P/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H/p+1.
What are the key properties of tris(4-chlorophenyl)phosphanium?
tris(4-chlorophenyl)phosphanium has a molecular weight of 366.64 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-chlorophenyl)phosphanium is sourced from PubChem (CID 23413716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).