triphenyl(undec-10-enyl)phosphanium

C29H36P+ — CID 3716115

IUPACtriphenyl(undec-10-enyl)phosphanium
SMILESC=CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36P/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h2,10-18,20-25H,1,3-9,19,26H2/q+1
InChIKeyDDFQULIEOOURHH-UHFFFAOYSA-N
MW415.58 g/mol
LogP7.29
Rot. Bonds13

About triphenyl(undec-10-enyl)phosphanium

triphenyl(undec-10-enyl)phosphanium (PubChem CID 3716115) has the molecular formula C29H36P+ and a molecular weight of 415.58 g/mol. Its IUPAC name is triphenyl(undec-10-enyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(undec-10-enyl)phosphanium
PubChem CID3716115
Molecular FormulaC29H36P+
Molecular Weight415.58 g/mol
Exact Mass415.25
IUPAC Nametriphenyl(undec-10-enyl)phosphanium
SMILESC=CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36P/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h2,10-18,20-25H,1,3-9,19,26H2/q+1
InChIKeyDDFQULIEOOURHH-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(E)-7-iodohept-6-enyl]-triphenylphosphanium bromide
CID 11092959
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium
CID 10767190
[(3Z)-hepta-3,6-dienyl]-triphenylphosphanium iodide
CID 10767189
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
5-bromopentyl(triphenyl)phosphanium
CID 53436148
hexyl(triphenyl)phosphanium
CID 2724570

Frequently Asked Questions

What is the IUPAC name of triphenyl(undec-10-enyl)phosphanium?
The IUPAC name of triphenyl(undec-10-enyl)phosphanium (CID 3716115) is triphenyl(undec-10-enyl)phosphanium.
What is the SMILES notation for triphenyl(undec-10-enyl)phosphanium?
The canonical SMILES for triphenyl(undec-10-enyl)phosphanium is C=CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl(undec-10-enyl)phosphanium?
The InChIKey is DDFQULIEOOURHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36P/c1-2-3-4-5-6-7-8-9-19-26-30(27-20-13-10-14-21-27,28-22-15-11-16-23-28)29-24-17-12-18-25-29/h2,10-18,20-25H,1,3-9,19,26H2/q+1.
What are the key properties of triphenyl(undec-10-enyl)phosphanium?
triphenyl(undec-10-enyl)phosphanium has a molecular weight of 415.58 g/mol, XLogP of 7.29, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(undec-10-enyl)phosphanium is sourced from PubChem (CID 3716115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).