[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium

C24H24P+ — CID 13156160

IUPAC[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
SMILESC/C=C/C=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h2-20H,21H2,1H3/q+1/b3-2+,14-4-
InChIKeyZXSGONDRIULTLD-YFBKQRKCSA-N
MW343.43 g/mol
LogP5.11
Rot. Bonds6

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

[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium (PubChem CID 13156160) has the molecular formula C24H24P+ and a molecular weight of 343.43 g/mol. Its IUPAC name is [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
PubChem CID13156160
Molecular FormulaC24H24P+
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium
SMILESC/C=C/C=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h2-20H,21H2,1H3/q+1/b3-2+,14-4-
InChIKeyZXSGONDRIULTLD-YFBKQRKCSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.11
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

[(E)-but-2-enyl]-triphenylphosphanium iodide
CID 19366382
[(2Z,4Z)-hexa-2,4-dienyl]-methyl-diphenylphosphanium
CID 154980147
[(2Z,4Z)-hepta-2,4,6-trienyl]-triphenylphosphanium
CID 89336111
penta-2,4-dienyl(triphenyl)phosphanium bromide
CID 72767674
[(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
6-chlorohex-2-enyl(triphenyl)phosphanium bromide
CID 174231395
9-chloronon-2-enyl(triphenyl)phosphanium chloride
CID 174231324
[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene
CID 156727063
hepta-3,5-dienylbenzene
CID 54230830
[(3E,5Z)-hepta-3,5-dienyl]benzene
CID 12021636

Frequently Asked Questions

What is the IUPAC name of [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium?
The IUPAC name of [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium (CID 13156160) is [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium.
What is the SMILES notation for [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium?
The canonical SMILES for [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium is C/C=C/C=C\C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium?
The InChIKey is ZXSGONDRIULTLD-YFBKQRKCSA-N. The full InChI is InChI=1S/C24H24P/c1-2-3-4-14-21-25(22-15-8-5-9-16-22,23-17-10-6-11-18-23)24-19-12-7-13-20-24/h2-20H,21H2,1H3/q+1/b3-2+,14-4-.
What are the key properties of [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium?
[(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium has a molecular weight of 343.43 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2Z,4E)-hexa-2,4-dienyl]-triphenylphosphanium is sourced from PubChem (CID 13156160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).