triphenyl(prop-2-enyl)phosphanium perchlorate

C21H20ClO4P — CID 21492296

IUPACtriphenyl(prop-2-enyl)phosphanium perchlorate
SMILESC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H20P.ClHO4/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/h2-17H,1,18H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyORCWVIJRWYYEPF-UHFFFAOYSA-M
MW402.81 g/mol
LogP-0.59
Rot. Bonds5

About triphenyl(prop-2-enyl)phosphanium perchlorate

triphenyl(prop-2-enyl)phosphanium perchlorate (PubChem CID 21492296) has the molecular formula C21H20ClO4P and a molecular weight of 402.81 g/mol. Its IUPAC name is triphenyl(prop-2-enyl)phosphanium perchlorate.

Molecular Properties

Compound Nametriphenyl(prop-2-enyl)phosphanium perchlorate
PubChem CID21492296
Molecular FormulaC21H20ClO4P
Molecular Weight402.81 g/mol
Exact Mass402.08
IUPAC Nametriphenyl(prop-2-enyl)phosphanium perchlorate
SMILESC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H20P.ClHO4/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/h2-17H,1,18H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyORCWVIJRWYYEPF-UHFFFAOYSA-M
XLogP-0.59
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.81
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(4-phenoxyphenyl)-prop-2-enylphosphanium
CID 87640227
penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
CID 89336111
triphenyl(undec-10-enyl)phosphanium
CID 3716115
benzyl-tris(prop-2-enyl)phosphanium
CID 66801422
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
3-iminoprop-2-enyl(triphenyl)phosphanium
CID 139243695
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
benzyl-tris(prop-2-enyl)phosphanium;ethene
CID 174788600

Frequently Asked Questions

What is the IUPAC name of triphenyl(prop-2-enyl)phosphanium perchlorate?
The IUPAC name of triphenyl(prop-2-enyl)phosphanium perchlorate (CID 21492296) is triphenyl(prop-2-enyl)phosphanium perchlorate.
What is the SMILES notation for triphenyl(prop-2-enyl)phosphanium perchlorate?
The canonical SMILES for triphenyl(prop-2-enyl)phosphanium perchlorate is C=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of triphenyl(prop-2-enyl)phosphanium perchlorate?
The InChIKey is ORCWVIJRWYYEPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20P.ClHO4/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/h2-17H,1,18H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of triphenyl(prop-2-enyl)phosphanium perchlorate?
triphenyl(prop-2-enyl)phosphanium perchlorate has a molecular weight of 402.81 g/mol, XLogP of -0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(prop-2-enyl)phosphanium perchlorate is sourced from PubChem (CID 21492296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).