hydron;triphenylphosphanium;ditetrafluoroborate

C18H17B2F8P — CID 173429436

IUPAChydron;triphenylphosphanium;ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[H+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)5/h1-15H;;/q;2*-1/p+2
InChIKeyPETASMJCXZEYPR-UHFFFAOYSA-P
MW437.92 g/mol
LogP5.89
Rot. Bonds3

About hydron;triphenylphosphanium;ditetrafluoroborate

hydron;triphenylphosphanium;ditetrafluoroborate (PubChem CID 173429436) has the molecular formula C18H17B2F8P and a molecular weight of 437.92 g/mol. Its IUPAC name is hydron;triphenylphosphanium;ditetrafluoroborate.

Molecular Properties

Compound Namehydron;triphenylphosphanium;ditetrafluoroborate
PubChem CID173429436
Molecular FormulaC18H17B2F8P
Molecular Weight437.92 g/mol
Exact Mass438.11
IUPAC Namehydron;triphenylphosphanium;ditetrafluoroborate
SMILESF[B-](F)(F)F.F[B-](F)(F)F.[H+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.2BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)5/h1-15H;;/q;2*-1/p+2
InChIKeyPETASMJCXZEYPR-UHFFFAOYSA-P
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.92
LogP ≤ 55.89
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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nickel;tris(trifluorophosphanium);triphenylphosphanium
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1,1'-biphenyl;triphenylphosphanium;hydroxide
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CID 87436309
palladium;phosphane;tetrakis(triphenylphosphanium)
CID 90187474
diphenyl(trifluoromethyl)phosphanium tetrafluoroborate
CID 161484920
methanone;ruthenium(4+);triphenylphosphanium
CID 87465370
dichlororuthenium;tris(triphenylphosphanium)
CID 6373698
dioxopalladium;triphenylphosphanium
CID 174842290
carbon monoxide;molybdenum;bis(triphenylphosphanium)
CID 6327321

Frequently Asked Questions

What is the IUPAC name of hydron;triphenylphosphanium;ditetrafluoroborate?
The IUPAC name of hydron;triphenylphosphanium;ditetrafluoroborate (CID 173429436) is hydron;triphenylphosphanium;ditetrafluoroborate.
What is the SMILES notation for hydron;triphenylphosphanium;ditetrafluoroborate?
The canonical SMILES for hydron;triphenylphosphanium;ditetrafluoroborate is F[B-](F)(F)F.F[B-](F)(F)F.[H+].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hydron;triphenylphosphanium;ditetrafluoroborate?
The InChIKey is PETASMJCXZEYPR-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H15P.2BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*2-1(3,4)5/h1-15H;;/q;2*-1/p+2.
What are the key properties of hydron;triphenylphosphanium;ditetrafluoroborate?
hydron;triphenylphosphanium;ditetrafluoroborate has a molecular weight of 437.92 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;triphenylphosphanium;ditetrafluoroborate is sourced from PubChem (CID 173429436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).