nonyl(triphenyl)phosphanium;trichlorozinc(1-)

C27H34Cl3PZn — CID 19420228

IUPACnonyl(triphenyl)phosphanium;trichlorozinc(1-)
SMILESCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Zn-](Cl)Cl
InChIInChI=1S/C27H34P.3ClH.Zn/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;;;;/h8-16,18-23H,2-7,17,24H2,1H3;3*1H;/q+1;;;;+2/p-3
InChIKeyWSCLMVBHRFYFSN-UHFFFAOYSA-K
MW561.29 g/mol
LogP8.80
Rot. Bonds11

About nonyl(triphenyl)phosphanium;trichlorozinc(1-)

nonyl(triphenyl)phosphanium;trichlorozinc(1-) (PubChem CID 19420228) has the molecular formula C27H34Cl3PZn and a molecular weight of 561.29 g/mol. Its IUPAC name is nonyl(triphenyl)phosphanium;trichlorozinc(1-).

Molecular Properties

Compound Namenonyl(triphenyl)phosphanium;trichlorozinc(1-)
PubChem CID19420228
Molecular FormulaC27H34Cl3PZn
Molecular Weight561.29 g/mol
Exact Mass558.08
IUPAC Namenonyl(triphenyl)phosphanium;trichlorozinc(1-)
SMILESCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Zn-](Cl)Cl
InChIInChI=1S/C27H34P.3ClH.Zn/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;;;;/h8-16,18-23H,2-7,17,24H2,1H3;3*1H;/q+1;;;;+2/p-3
InChIKeyWSCLMVBHRFYFSN-UHFFFAOYSA-K
XLogP8.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.29
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496

Frequently Asked Questions

What is the IUPAC name of nonyl(triphenyl)phosphanium;trichlorozinc(1-)?
The IUPAC name of nonyl(triphenyl)phosphanium;trichlorozinc(1-) (CID 19420228) is nonyl(triphenyl)phosphanium;trichlorozinc(1-).
What is the SMILES notation for nonyl(triphenyl)phosphanium;trichlorozinc(1-)?
The canonical SMILES for nonyl(triphenyl)phosphanium;trichlorozinc(1-) is CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.Cl[Zn-](Cl)Cl.
What is the InChIKey of nonyl(triphenyl)phosphanium;trichlorozinc(1-)?
The InChIKey is WSCLMVBHRFYFSN-UHFFFAOYSA-K. The full InChI is InChI=1S/C27H34P.3ClH.Zn/c1-2-3-4-5-6-7-17-24-28(25-18-11-8-12-19-25,26-20-13-9-14-21-26)27-22-15-10-16-23-27;;;;/h8-16,18-23H,2-7,17,24H2,1H3;3*1H;/q+1;;;;+2/p-3.
What are the key properties of nonyl(triphenyl)phosphanium;trichlorozinc(1-)?
nonyl(triphenyl)phosphanium;trichlorozinc(1-) has a molecular weight of 561.29 g/mol, XLogP of 8.80, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl(triphenyl)phosphanium;trichlorozinc(1-) is sourced from PubChem (CID 19420228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).