penta-2,4-dienyl(triphenyl)phosphanium bromide

C23H22BrP — CID 72767674

IUPACpenta-2,4-dienyl(triphenyl)phosphanium bromide
SMILESC=CC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H22P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h2-19H,1,20H2;1H/q+1;/p-1
InChIKeyQWDJFUJJBSKHGZ-UHFFFAOYSA-M
MW409.31 g/mol
LogP1.73
Rot. Bonds6

About penta-2,4-dienyl(triphenyl)phosphanium bromide

penta-2,4-dienyl(triphenyl)phosphanium bromide (PubChem CID 72767674) has the molecular formula C23H22BrP and a molecular weight of 409.31 g/mol. Its IUPAC name is penta-2,4-dienyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namepenta-2,4-dienyl(triphenyl)phosphanium bromide
PubChem CID72767674
Molecular FormulaC23H22BrP
Molecular Weight409.31 g/mol
Exact Mass408.06
IUPAC Namepenta-2,4-dienyl(triphenyl)phosphanium bromide
SMILESC=CC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C23H22P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h2-19H,1,20H2;1H/q+1;/p-1
InChIKeyQWDJFUJJBSKHGZ-UHFFFAOYSA-M
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
CID 89336111
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
buta-1,3-dienyl(triphenyl)phosphanium
CID 2752732
[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
triphenyl-[(Z)-4-phenylbut-2-enyl]phosphanium
CID 11283206
triphenyl(prop-2-enyl)phosphanium perchlorate
CID 21492296
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
10-bromodec-2-enyl(triphenyl)phosphanium bromide
CID 174231358
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215

Frequently Asked Questions

What is the IUPAC name of penta-2,4-dienyl(triphenyl)phosphanium bromide?
The IUPAC name of penta-2,4-dienyl(triphenyl)phosphanium bromide (CID 72767674) is penta-2,4-dienyl(triphenyl)phosphanium bromide.
What is the SMILES notation for penta-2,4-dienyl(triphenyl)phosphanium bromide?
The canonical SMILES for penta-2,4-dienyl(triphenyl)phosphanium bromide is C=CC=CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of penta-2,4-dienyl(triphenyl)phosphanium bromide?
The InChIKey is QWDJFUJJBSKHGZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H22P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h2-19H,1,20H2;1H/q+1;/p-1.
What are the key properties of penta-2,4-dienyl(triphenyl)phosphanium bromide?
penta-2,4-dienyl(triphenyl)phosphanium bromide has a molecular weight of 409.31 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for penta-2,4-dienyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 72767674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).