triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate

C21H20BF4P — CID 10894428

IUPACtriphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
SMILESC/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C21H20P.BF4/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)5/h2-18H,1H3;/q+1;-1/b18-2+;
InChIKeyJYAILOPUNLSXGS-QMUAEARGSA-N
MW390.17 g/mol
LogP5.81
Rot. Bonds4

About triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate

triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate (PubChem CID 10894428) has the molecular formula C21H20BF4P and a molecular weight of 390.17 g/mol. Its IUPAC name is triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate.

Molecular Properties

Compound Nametriphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
PubChem CID10894428
Molecular FormulaC21H20BF4P
Molecular Weight390.17 g/mol
Exact Mass390.13
IUPAC Nametriphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
SMILESC/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C21H20P.BF4/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)5/h2-18H,1H3;/q+1;-1/b18-2+;
InChIKeyJYAILOPUNLSXGS-QMUAEARGSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.17
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate?
The IUPAC name of triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate (CID 10894428) is triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate.
What is the SMILES notation for triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate?
The canonical SMILES for triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate is C/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate?
The InChIKey is JYAILOPUNLSXGS-QMUAEARGSA-N. The full InChI is InChI=1S/C21H20P.BF4/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;2-1(3,4)5/h2-18H,1H3;/q+1;-1/b18-2+;.
What are the key properties of triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate?
triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate has a molecular weight of 390.17 g/mol, XLogP of 5.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate is sourced from PubChem (CID 10894428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).