triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium

C28H23F3P+ — CID 73432533

IUPACtriphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium
SMILESFC(F)(F)c1ccc(C=CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23F3P/c29-28(30,31)24-20-18-23(19-21-24)11-10-22-32(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-21H,22H2/q+1
InChIKeyOLLXYNJAOOHQQO-UHFFFAOYSA-N
MW447.46 g/mol
LogP6.71
Rot. Bonds6

About triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium

triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium (PubChem CID 73432533) has the molecular formula C28H23F3P+ and a molecular weight of 447.46 g/mol. Its IUPAC name is triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium
PubChem CID73432533
Molecular FormulaC28H23F3P+
Molecular Weight447.46 g/mol
Exact Mass447.15
IUPAC Nametriphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium
SMILESFC(F)(F)c1ccc(C=CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H23F3P/c29-28(30,31)24-20-18-23(19-21-24)11-10-22-32(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-21H,22H2/q+1
InChIKeyOLLXYNJAOOHQQO-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 56.71
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 triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium?
The IUPAC name of triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium (CID 73432533) is triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium.
What is the SMILES notation for triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium?
The canonical SMILES for triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium is FC(F)(F)c1ccc(C=CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium?
The InChIKey is OLLXYNJAOOHQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F3P/c29-28(30,31)24-20-18-23(19-21-24)11-10-22-32(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27/h1-21H,22H2/q+1.
What are the key properties of triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium?
triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium has a molecular weight of 447.46 g/mol, XLogP of 6.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[3-[4-(trifluoromethyl)phenyl]prop-2-enyl]phosphanium is sourced from PubChem (CID 73432533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).