CID 172998208

C20H26F6PSb+ — CID 172998208

IUPAC—
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F.F.F.F.F.F.[Sb]
InChIInChI=1S/C20H20P.6FH.Sb/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;;;;;/h3-17H,2H2,1H3;6*1H;/q+1;;;;;;;
InChIKeyYNBRLASEORIFAF-UHFFFAOYSA-N
MW533.15 g/mol
LogP4.53
Rot. Bonds4

About CID 172998208

CID 172998208 (PubChem CID 172998208) has the molecular formula C20H26F6PSb+ and a molecular weight of 533.15 g/mol.

Molecular Properties

Compound NameCID 172998208
PubChem CID172998208
Molecular FormulaC20H26F6PSb+
Molecular Weight533.15 g/mol
Exact Mass532.07
IUPAC Name—
SMILESCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F.F.F.F.F.F.[Sb]
InChIInChI=1S/C20H20P.6FH.Sb/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;;;;;/h3-17H,2H2,1H3;6*1H;/q+1;;;;;;;
InChIKeyYNBRLASEORIFAF-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.15
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 174900337
azane;ethyl(triphenyl)phosphanium;iodide;hydroiodide
CID 174751810
ethyl(triphenyl)phosphanium hexafluorophosphate
CID 22677091
ethyl(triphenyl)phosphanium;trifluorocopper(1-)
CID 19429065
diiodonickel;ethyl(triphenyl)phosphanium
CID 160550890
bromoethane;ethyl(triphenyl)phosphanium;bromide
CID 174716559
ethyl-(3-fluorophenyl)-diphenylphosphanium
CID 174725265
acetic acid;ethyl(triphenyl)phosphanium;phosphane;acetate
CID 173397747
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
(4-acetyloxyphenyl)-ethyl-diphenylphosphanium
CID 129074306

Frequently Asked Questions

What is the IUPAC name of CID 172998208?
The IUPAC name of CID 172998208 (CID 172998208) is not available.
What is the SMILES notation for CID 172998208?
The canonical SMILES for CID 172998208 is CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.F.F.F.F.F.F.[Sb].
What is the InChIKey of CID 172998208?
The InChIKey is YNBRLASEORIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20P.6FH.Sb/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;;;;;;;/h3-17H,2H2,1H3;6*1H;/q+1;;;;;;;.
What are the key properties of CID 172998208?
CID 172998208 has a molecular weight of 533.15 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172998208 is sourced from PubChem (CID 172998208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).