tri(heptadecyl)-pentadecylphosphanium

C66H136P+ — CID 87810198

IUPACtri(heptadecyl)-pentadecylphosphanium
SMILESCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C66H136P/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-67(63-59-55-51-47-43-39-32-28-24-20-16-12-8-4,65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h5-66H2,1-4H3/q+1
InChIKeyZQLNSVKJIGJLSF-UHFFFAOYSA-N
MW960.79 g/mol
LogP25.71
Rot. Bonds62

About tri(heptadecyl)-pentadecylphosphanium

tri(heptadecyl)-pentadecylphosphanium (PubChem CID 87810198) has the molecular formula C66H136P+ and a molecular weight of 960.79 g/mol. Its IUPAC name is tri(heptadecyl)-pentadecylphosphanium.

Molecular Properties

Compound Nametri(heptadecyl)-pentadecylphosphanium
PubChem CID87810198
Molecular FormulaC66H136P+
Molecular Weight960.79 g/mol
Exact Mass960.04
IUPAC Nametri(heptadecyl)-pentadecylphosphanium
SMILESCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C66H136P/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-67(63-59-55-51-47-43-39-32-28-24-20-16-12-8-4,65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h5-66H2,1-4H3/q+1
InChIKeyZQLNSVKJIGJLSF-UHFFFAOYSA-N
XLogP25.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds62
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.79
LogP ≤ 525.71
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

heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
dihexyl(dioctyl)phosphanium
CID 87323731
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
tridodecyl(heptyl)phosphanium
CID 87810947
trioctyl(undecyl)phosphanium
CID 87776674
tripentyl(tridecyl)phosphanium
CID 87194414
nonyl-tri(pentadecyl)phosphanium
CID 87807671
butyl(triheptyl)phosphanium
CID 87777247

Frequently Asked Questions

What is the IUPAC name of tri(heptadecyl)-pentadecylphosphanium?
The IUPAC name of tri(heptadecyl)-pentadecylphosphanium (CID 87810198) is tri(heptadecyl)-pentadecylphosphanium.
What is the SMILES notation for tri(heptadecyl)-pentadecylphosphanium?
The canonical SMILES for tri(heptadecyl)-pentadecylphosphanium is CCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.
What is the InChIKey of tri(heptadecyl)-pentadecylphosphanium?
The InChIKey is ZQLNSVKJIGJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H136P/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-67(63-59-55-51-47-43-39-32-28-24-20-16-12-8-4,65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3/h5-66H2,1-4H3/q+1.
What are the key properties of tri(heptadecyl)-pentadecylphosphanium?
tri(heptadecyl)-pentadecylphosphanium has a molecular weight of 960.79 g/mol, XLogP of 25.71, 62 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(heptadecyl)-pentadecylphosphanium is sourced from PubChem (CID 87810198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).