[(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium

C25H24P+ — CID 144583668

IUPAC[(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium
SMILESC=C/C=C(\C=C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P/c1-3-14-22(4-2)21-26(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h3-20H,1-2,21H2/q+1/b22-14+
InChIKeySSUPHUWZQDWYRB-HYARGMPZSA-N
MW355.44 g/mol
LogP5.28
Rot. Bonds7

About [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium

[(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium (PubChem CID 144583668) has the molecular formula C25H24P+ and a molecular weight of 355.44 g/mol. Its IUPAC name is [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium
PubChem CID144583668
Molecular FormulaC25H24P+
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name[(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium
SMILESC=C/C=C(\C=C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P/c1-3-14-22(4-2)21-26(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h3-20H,1-2,21H2/q+1/b22-14+
InChIKeySSUPHUWZQDWYRB-HYARGMPZSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.28
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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Frequently Asked Questions

What is the IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium?
The IUPAC name of [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium (CID 144583668) is [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium.
What is the SMILES notation for [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium?
The canonical SMILES for [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium is C=C/C=C(\C=C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium?
The InChIKey is SSUPHUWZQDWYRB-HYARGMPZSA-N. The full InChI is InChI=1S/C25H24P/c1-3-14-22(4-2)21-26(23-15-8-5-9-16-23,24-17-10-6-11-18-24)25-19-12-7-13-20-25/h3-20H,1-2,21H2/q+1/b22-14+.
What are the key properties of [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium?
[(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium has a molecular weight of 355.44 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-2-ethenylpenta-2,4-dienyl]-triphenylphosphanium is sourced from PubChem (CID 144583668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).