tetraoctadecylphosphanium iodide

C72H148IP — CID 21470282

IUPACtetraoctadecylphosphanium iodide
SMILESCCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[I-]
InChIInChI=1S/C72H148P.HI/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-72H2,1-4H3;1H/q+1;/p-1
InChIKeyQXKLJZBPOOQCOK-UHFFFAOYSA-M
MW1171.85 g/mol
LogP25.05
Rot. Bonds68

About tetraoctadecylphosphanium iodide

tetraoctadecylphosphanium iodide (PubChem CID 21470282) has the molecular formula C72H148IP and a molecular weight of 1171.85 g/mol. Its IUPAC name is tetraoctadecylphosphanium iodide.

Molecular Properties

Compound Nametetraoctadecylphosphanium iodide
PubChem CID21470282
Molecular FormulaC72H148IP
Molecular Weight1171.85 g/mol
Exact Mass1171.04
IUPAC Nametetraoctadecylphosphanium iodide
SMILESCCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[I-]
InChIInChI=1S/C72H148P.HI/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-72H2,1-4H3;1H/q+1;/p-1
InChIKeyQXKLJZBPOOQCOK-UHFFFAOYSA-M
XLogP25.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds68
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.85
LogP ≤ 525.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hexadecyl(trihexyl)phosphanium iodide
CID 87778701
triheptyl(pentyl)phosphanium iodide
CID 87777949
trioctyl(undecyl)phosphanium iodide
CID 87776861
dihexyl-di(tetradecyl)phosphanium iodide
CID 87778643
dihexyl(dioctadecyl)phosphanium iodide
CID 87778941
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
dodecyl-tri(tetradecyl)phosphanium
CID 87807387
heptyl-tri(undecyl)phosphanium
CID 87895668
tri(nonadecyl)-undecylphosphanium
CID 87808807
heptyl-tri(tetradecyl)phosphanium
CID 87807444
tri(nonyl)-octylphosphanium
CID 87811687

Frequently Asked Questions

What is the IUPAC name of tetraoctadecylphosphanium iodide?
The IUPAC name of tetraoctadecylphosphanium iodide (CID 21470282) is tetraoctadecylphosphanium iodide.
What is the SMILES notation for tetraoctadecylphosphanium iodide?
The canonical SMILES for tetraoctadecylphosphanium iodide is CCCCCCCCCCCCCCCCCC[P+](CCCCCCCCCCCCCCCCCC)(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC.[I-].
What is the InChIKey of tetraoctadecylphosphanium iodide?
The InChIKey is QXKLJZBPOOQCOK-UHFFFAOYSA-M. The full InChI is InChI=1S/C72H148P.HI/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73(70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4;/h5-72H2,1-4H3;1H/q+1;/p-1.
What are the key properties of tetraoctadecylphosphanium iodide?
tetraoctadecylphosphanium iodide has a molecular weight of 1171.85 g/mol, XLogP of 25.05, 68 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraoctadecylphosphanium iodide is sourced from PubChem (CID 21470282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).