triphenyl(prop-1-en-2-yl)phosphanium bromide

C21H20BrP — CID 57358625

IUPACtriphenyl(prop-1-en-2-yl)phosphanium bromide
SMILESC=C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H20P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1H2,2H3;1H/q+1;/p-1
InChIKeyIPSUSDMIGDKZIK-UHFFFAOYSA-M
MW383.27 g/mol
LogP1.52
Rot. Bonds4

About triphenyl(prop-1-en-2-yl)phosphanium bromide

triphenyl(prop-1-en-2-yl)phosphanium bromide (PubChem CID 57358625) has the molecular formula C21H20BrP and a molecular weight of 383.27 g/mol. Its IUPAC name is triphenyl(prop-1-en-2-yl)phosphanium bromide.

Molecular Properties

Compound Nametriphenyl(prop-1-en-2-yl)phosphanium bromide
PubChem CID57358625
Molecular FormulaC21H20BrP
Molecular Weight383.27 g/mol
Exact Mass382.05
IUPAC Nametriphenyl(prop-1-en-2-yl)phosphanium bromide
SMILESC=C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H20P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1H2,2H3;1H/q+1;/p-1
InChIKeyIPSUSDMIGDKZIK-UHFFFAOYSA-M
XLogP1.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 51.52
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(prop-1-en-2-yl)phosphanium bromide?
The IUPAC name of triphenyl(prop-1-en-2-yl)phosphanium bromide (CID 57358625) is triphenyl(prop-1-en-2-yl)phosphanium bromide.
What is the SMILES notation for triphenyl(prop-1-en-2-yl)phosphanium bromide?
The canonical SMILES for triphenyl(prop-1-en-2-yl)phosphanium bromide is C=C(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of triphenyl(prop-1-en-2-yl)phosphanium bromide?
The InChIKey is IPSUSDMIGDKZIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H20P.BrH/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-17H,1H2,2H3;1H/q+1;/p-1.
What are the key properties of triphenyl(prop-1-en-2-yl)phosphanium bromide?
triphenyl(prop-1-en-2-yl)phosphanium bromide has a molecular weight of 383.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(prop-1-en-2-yl)phosphanium bromide is sourced from PubChem (CID 57358625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).