triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium

C28H26P+ — CID 15529550

IUPACtriphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
SMILESC(=C/c1ccccc1)\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26P/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-13,15-23H,14,24H2/q+1/b17-13+
InChIKeyRPFFYPZDYDDTCT-GHRIWEEISA-N
MW393.49 g/mol
LogP6.08
Rot. Bonds7

About triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium

triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium (PubChem CID 15529550) has the molecular formula C28H26P+ and a molecular weight of 393.49 g/mol. Its IUPAC name is triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
PubChem CID15529550
Molecular FormulaC28H26P+
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC Nametriphenyl-[(E)-4-phenylbut-3-enyl]phosphanium
SMILESC(=C/c1ccccc1)\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H26P/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-13,15-23H,14,24H2/q+1/b17-13+
InChIKeyRPFFYPZDYDDTCT-GHRIWEEISA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
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[(3Z,6Z)-nona-3,6-dienyl]-triphenylphosphanium
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[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
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[(3Z,6Z)-8,8,9,9,9-pentadeuterionona-3,6-dienyl]-triphenylphosphanium
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[(E)-5,5-diethoxypent-1-enyl]benzene
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palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
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triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
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[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium?
The IUPAC name of triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium (CID 15529550) is triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium.
What is the SMILES notation for triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium?
The canonical SMILES for triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium is C(=C/c1ccccc1)\CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium?
The InChIKey is RPFFYPZDYDDTCT-GHRIWEEISA-N. The full InChI is InChI=1S/C28H26P/c1-5-15-25(16-6-1)17-13-14-24-29(26-18-7-2-8-19-26,27-20-9-3-10-21-27)28-22-11-4-12-23-28/h1-13,15-23H,14,24H2/q+1/b17-13+.
What are the key properties of triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium?
triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium has a molecular weight of 393.49 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(E)-4-phenylbut-3-enyl]phosphanium is sourced from PubChem (CID 15529550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).