triphenyl-[(Z)-tetradec-7-enyl]phosphanium

C32H42P+ — CID 42631990

IUPACtriphenyl-[(Z)-tetradec-7-enyl]phosphanium
SMILESCCCCCC/C=C\CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42P/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32/h7-8,13-21,23-28H,2-6,9-12,22,29H2,1H3/q+1/b8-7-
InChIKeyKSKNZKNZJQKUOL-FPLPWBNLSA-N
MW457.66 g/mol
LogP8.46
Rot. Bonds15

About triphenyl-[(Z)-tetradec-7-enyl]phosphanium

triphenyl-[(Z)-tetradec-7-enyl]phosphanium (PubChem CID 42631990) has the molecular formula C32H42P+ and a molecular weight of 457.66 g/mol. Its IUPAC name is triphenyl-[(Z)-tetradec-7-enyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(Z)-tetradec-7-enyl]phosphanium
PubChem CID42631990
Molecular FormulaC32H42P+
Molecular Weight457.66 g/mol
Exact Mass457.30
IUPAC Nametriphenyl-[(Z)-tetradec-7-enyl]phosphanium
SMILESCCCCCC/C=C\CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42P/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32/h7-8,13-21,23-28H,2-6,9-12,22,29H2,1H3/q+1/b8-7-
InChIKeyKSKNZKNZJQKUOL-FPLPWBNLSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 58.46
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

[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
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
[(E)-11,11-diheptoxyundec-4-enyl]-triphenylphosphanium
CID 175312666
11,11-diheptoxyundec-4-enyl(triphenyl)phosphanium chloride
CID 175312709
[(E)-11,11-dibutoxyundec-4-enyl]-triphenylphosphanium
CID 175312604
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(Z)-tetradec-7-enyl]phosphanium?
The IUPAC name of triphenyl-[(Z)-tetradec-7-enyl]phosphanium (CID 42631990) is triphenyl-[(Z)-tetradec-7-enyl]phosphanium.
What is the SMILES notation for triphenyl-[(Z)-tetradec-7-enyl]phosphanium?
The canonical SMILES for triphenyl-[(Z)-tetradec-7-enyl]phosphanium is CCCCCC/C=C\CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[(Z)-tetradec-7-enyl]phosphanium?
The InChIKey is KSKNZKNZJQKUOL-FPLPWBNLSA-N. The full InChI is InChI=1S/C32H42P/c1-2-3-4-5-6-7-8-9-10-11-12-22-29-33(30-23-16-13-17-24-30,31-25-18-14-19-26-31)32-27-20-15-21-28-32/h7-8,13-21,23-28H,2-6,9-12,22,29H2,1H3/q+1/b8-7-.
What are the key properties of triphenyl-[(Z)-tetradec-7-enyl]phosphanium?
triphenyl-[(Z)-tetradec-7-enyl]phosphanium has a molecular weight of 457.66 g/mol, XLogP of 8.46, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(Z)-tetradec-7-enyl]phosphanium is sourced from PubChem (CID 42631990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).