[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium

C25H24P+ — CID 89336111

IUPAC[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
SMILESC=C/C=C\C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h2-21H,1,22H2/q+1/b4-3-,15-5-
InChIKeyVRVHHTAYGMFRDF-GVLLYKPYSA-N
MW355.44 g/mol
LogP5.28
Rot. Bonds7

About [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium

[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium (PubChem CID 89336111) has the molecular formula C25H24P+ and a molecular weight of 355.44 g/mol. Its IUPAC name is [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
PubChem CID89336111
Molecular FormulaC25H24P+
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
SMILESC=C/C=C\C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24P/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h2-21H,1,22H2/q+1/b4-3-,15-5-
InChIKeyVRVHHTAYGMFRDF-GVLLYKPYSA-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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Related Compounds

penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
CID 13156160
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
[(E)-4-bromobut-2-enyl]-triphenylphosphanium;hydrobromide
CID 20833566
triphenyl(prop-2-enyl)phosphanium perchlorate
CID 21492296
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
triphenyl-[(E)-6-phenylhex-2-enyl]phosphanium
CID 101160336
hexafluoroantimony(1-);hydron;triphenyl(3-phenylprop-2-enyl)phosphanium
CID 174648580

Frequently Asked Questions

What is the IUPAC name of [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium?
The IUPAC name of [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium (CID 89336111) is [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium.
What is the SMILES notation for [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium?
The canonical SMILES for [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium is C=C/C=C\C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium?
The InChIKey is VRVHHTAYGMFRDF-GVLLYKPYSA-N. The full InChI is InChI=1S/C25H24P/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25/h2-21H,1,22H2/q+1/b4-3-,15-5-.
What are the key properties of [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium?
[(2Z,4Z)-hepta-2,4,6-trienyl]-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 [(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium is sourced from PubChem (CID 89336111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).