hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)

C108H96F6O12P12+6 — CID 173151701

IUPAChexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)
SMILESO=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.6FO2P/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*1-4(2)3/h6*1-15H;;;;;;/p+6
InChIKeyXWUZUKRZTWYGJA-UHFFFAOYSA-T
MW2071.62 g/mol
LogP24.30
Rot. Bonds18

About hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)

hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane) (PubChem CID 173151701) has the molecular formula C108H96F6O12P12+6 and a molecular weight of 2071.62 g/mol. Its IUPAC name is hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane).

Molecular Properties

Compound Namehexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)
PubChem CID173151701
Molecular FormulaC108H96F6O12P12+6
Molecular Weight2071.62 g/mol
Exact Mass2070.36
IUPAC Namehexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)
SMILESO=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/6C18H15P.6FO2P/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*1-4(2)3/h6*1-15H;;;;;;/p+6
InChIKeyXWUZUKRZTWYGJA-UHFFFAOYSA-T
XLogP24.30
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002071.62
LogP ≤ 524.30
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triphenylphosphane
CID 139056248
tris(triphenylphosphane);hydrobromide
CID 172722268
palladium;bis(triphenylphosphane)
CID 10122028
tris(triphenylphosphane);trihydrochloride
CID 173282987
tetrakis(triphenylphosphane);dihydrochloride
CID 172855409
triphenylphosphane;yttrium
CID 139917776
copper monohydride;hexakis(triphenylphosphane)
CID 134992255
silane;triphenylphosphane
CID 161037280
plutonium;triphenylphosphane
CID 161300359
iron dihydride;tetrakis(triphenylphosphane)
CID 172730134
CID 87948921
CID 87948921
triphenylphosphane;octahydrochloride
CID 172751742

Frequently Asked Questions

What is the IUPAC name of hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)?
The IUPAC name of hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane) (CID 173151701) is hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane).
What is the SMILES notation for hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)?
The canonical SMILES for hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane) is O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.O=[P+](O)F.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)?
The InChIKey is XWUZUKRZTWYGJA-UHFFFAOYSA-T. The full InChI is InChI=1S/6C18H15P.6FO2P/c6*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;6*1-4(2)3/h6*1-15H;;;;;;/p+6.
What are the key properties of hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane)?
hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane) has a molecular weight of 2071.62 g/mol, XLogP of 24.30, 18 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(fluoro-hydroxy-oxophosphanium);hexakis(triphenylphosphane) is sourced from PubChem (CID 173151701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).