pentadec-2-ynyl(triphenyl)phosphanium

C33H42P+ — CID 21293733

IUPACpentadec-2-ynyl(triphenyl)phosphanium
SMILESCCCCCCCCCCCCC#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H42P/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-34(31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h14-22,24-29H,2-12,30H2,1H3/q+1
InChIKeyUKKCMLZOYVEFJA-UHFFFAOYSA-N
MW469.67 g/mol
LogP8.29
Rot. Bonds14

About pentadec-2-ynyl(triphenyl)phosphanium

pentadec-2-ynyl(triphenyl)phosphanium (PubChem CID 21293733) has the molecular formula C33H42P+ and a molecular weight of 469.67 g/mol. Its IUPAC name is pentadec-2-ynyl(triphenyl)phosphanium.

Molecular Properties

Compound Namepentadec-2-ynyl(triphenyl)phosphanium
PubChem CID21293733
Molecular FormulaC33H42P+
Molecular Weight469.67 g/mol
Exact Mass469.30
IUPAC Namepentadec-2-ynyl(triphenyl)phosphanium
SMILESCCCCCCCCCCCCC#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H42P/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-34(31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h14-22,24-29H,2-12,30H2,1H3/q+1
InChIKeyUKKCMLZOYVEFJA-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.67
LogP ≤ 58.29
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

dodeca-3,6-diynyl(triphenyl)phosphanium
CID 10529473
triphenyl(4-triphenylphosphaniumylbut-2-ynyl)phosphanium diiodide
CID 71332519
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
dec-3-ynylbenzene
CID 13130420
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
tridec-1-ynylbenzene
CID 19991064
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
CID 176612024
henicos-8-yne
CID 22224321
ethane;non-1-ynylbenzene
CID 143616673

Frequently Asked Questions

What is the IUPAC name of pentadec-2-ynyl(triphenyl)phosphanium?
The IUPAC name of pentadec-2-ynyl(triphenyl)phosphanium (CID 21293733) is pentadec-2-ynyl(triphenyl)phosphanium.
What is the SMILES notation for pentadec-2-ynyl(triphenyl)phosphanium?
The canonical SMILES for pentadec-2-ynyl(triphenyl)phosphanium is CCCCCCCCCCCCC#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of pentadec-2-ynyl(triphenyl)phosphanium?
The InChIKey is UKKCMLZOYVEFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42P/c1-2-3-4-5-6-7-8-9-10-11-12-13-23-30-34(31-24-17-14-18-25-31,32-26-19-15-20-27-32)33-28-21-16-22-29-33/h14-22,24-29H,2-12,30H2,1H3/q+1.
What are the key properties of pentadec-2-ynyl(triphenyl)phosphanium?
pentadec-2-ynyl(triphenyl)phosphanium has a molecular weight of 469.67 g/mol, XLogP of 8.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentadec-2-ynyl(triphenyl)phosphanium is sourced from PubChem (CID 21293733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).