(3-ethenylphenyl)methyl-triphenylphosphanium

C27H24P+ — CID 22627875

IUPAC(3-ethenylphenyl)methyl-triphenylphosphanium
SMILESC=Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H24P/c1-2-23-13-12-14-24(21-23)22-28(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h2-21H,1,22H2/q+1
InChIKeyOLXPPNKTDDGZTO-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.82
Rot. Bonds6

About (3-ethenylphenyl)methyl-triphenylphosphanium

(3-ethenylphenyl)methyl-triphenylphosphanium (PubChem CID 22627875) has the molecular formula C27H24P+ and a molecular weight of 379.46 g/mol. Its IUPAC name is (3-ethenylphenyl)methyl-triphenylphosphanium.

Molecular Properties

Compound Name(3-ethenylphenyl)methyl-triphenylphosphanium
PubChem CID22627875
Molecular FormulaC27H24P+
Molecular Weight379.46 g/mol
Exact Mass379.16
IUPAC Name(3-ethenylphenyl)methyl-triphenylphosphanium
SMILESC=Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H24P/c1-2-23-13-12-14-24(21-23)22-28(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h2-21H,1,22H2/q+1
InChIKeyOLXPPNKTDDGZTO-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
[3-(chloromethyl)phenyl]methyl-triphenylphosphanium chloride
CID 19744545
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
(3-ethenylphenyl)methylphosphanium chloride
CID 159346927
triphenyl-[[3-(trifluoromethyl)phenyl]methyl]phosphanium
CID 11114323
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
[3-(methoxymethyl)phenyl]methyl-triphenylphosphanium bromide
CID 45043532
(3-methylsulfinylphenyl)methyl-triphenylphosphanium
CID 139734572
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570

Frequently Asked Questions

What is the IUPAC name of (3-ethenylphenyl)methyl-triphenylphosphanium?
The IUPAC name of (3-ethenylphenyl)methyl-triphenylphosphanium (CID 22627875) is (3-ethenylphenyl)methyl-triphenylphosphanium.
What is the SMILES notation for (3-ethenylphenyl)methyl-triphenylphosphanium?
The canonical SMILES for (3-ethenylphenyl)methyl-triphenylphosphanium is C=Cc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-ethenylphenyl)methyl-triphenylphosphanium?
The InChIKey is OLXPPNKTDDGZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24P/c1-2-23-13-12-14-24(21-23)22-28(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h2-21H,1,22H2/q+1.
What are the key properties of (3-ethenylphenyl)methyl-triphenylphosphanium?
(3-ethenylphenyl)methyl-triphenylphosphanium has a molecular weight of 379.46 g/mol, XLogP of 5.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethenylphenyl)methyl-triphenylphosphanium is sourced from PubChem (CID 22627875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).