nonyl(triphenyl)phosphanium;phosphane;bromide

C27H37BrP2 — CID 174988859

IUPACnonyl(triphenyl)phosphanium;phosphane;bromide
SMILESCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P.[Br-]
InChIInChI=1S/C27H34P.BrH.H3P/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;1H;1H3/q+1;;/p-1
InChIKeyUKYJPILWHQNLDK-UHFFFAOYSA-M
MW503.45 g/mol
LogP3.79
Rot. Bonds11

About nonyl(triphenyl)phosphanium;phosphane;bromide

nonyl(triphenyl)phosphanium;phosphane;bromide (PubChem CID 174988859) has the molecular formula C27H37BrP2 and a molecular weight of 503.45 g/mol. Its IUPAC name is nonyl(triphenyl)phosphanium;phosphane;bromide.

Molecular Properties

Compound Namenonyl(triphenyl)phosphanium;phosphane;bromide
PubChem CID174988859
Molecular FormulaC27H37BrP2
Molecular Weight503.45 g/mol
Exact Mass502.16
IUPAC Namenonyl(triphenyl)phosphanium;phosphane;bromide
SMILESCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P.[Br-]
InChIInChI=1S/C27H34P.BrH.H3P/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;1H;1H3/q+1;;/p-1
InChIKeyUKYJPILWHQNLDK-UHFFFAOYSA-M
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
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

Frequently Asked Questions

What is the IUPAC name of nonyl(triphenyl)phosphanium;phosphane;bromide?
The IUPAC name of nonyl(triphenyl)phosphanium;phosphane;bromide (CID 174988859) is nonyl(triphenyl)phosphanium;phosphane;bromide.
What is the SMILES notation for nonyl(triphenyl)phosphanium;phosphane;bromide?
The canonical SMILES for nonyl(triphenyl)phosphanium;phosphane;bromide is CCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.P.[Br-].
What is the InChIKey of nonyl(triphenyl)phosphanium;phosphane;bromide?
The InChIKey is UKYJPILWHQNLDK-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H34P.BrH.H3P/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;1H;1H3/q+1;;/p-1.
What are the key properties of nonyl(triphenyl)phosphanium;phosphane;bromide?
nonyl(triphenyl)phosphanium;phosphane;bromide has a molecular weight of 503.45 g/mol, XLogP of 3.79, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl(triphenyl)phosphanium;phosphane;bromide is sourced from PubChem (CID 174988859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).