hydrogen borate;bis(tetraphenylphosphanium)

C48H41BO3P2 — CID 174383886

IUPAChydrogen borate;bis(tetraphenylphosphanium)
SMILES[O-]B([O-])O.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H20P.BHO3/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3)4/h2*1-20H;2H/q2*+1;-2
InChIKeyGHHGDDXFGDETFX-UHFFFAOYSA-N
MW738.61 g/mol
LogP5.30
Rot. Bonds8

About hydrogen borate;bis(tetraphenylphosphanium)

hydrogen borate;bis(tetraphenylphosphanium) (PubChem CID 174383886) has the molecular formula C48H41BO3P2 and a molecular weight of 738.61 g/mol. Its IUPAC name is hydrogen borate;bis(tetraphenylphosphanium).

Molecular Properties

Compound Namehydrogen borate;bis(tetraphenylphosphanium)
PubChem CID174383886
Molecular FormulaC48H41BO3P2
Molecular Weight738.61 g/mol
Exact Mass738.26
IUPAC Namehydrogen borate;bis(tetraphenylphosphanium)
SMILES[O-]B([O-])O.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C24H20P.BHO3/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3)4/h2*1-20H;2H/q2*+1;-2
InChIKeyGHHGDDXFGDETFX-UHFFFAOYSA-N
XLogP5.30
TPSA66.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.61
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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dichlororuthenium;tris(tetraphenylphosphanium)
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tetraphenylphosphanium isocyanate
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(3-hydroxyphenyl)-triphenylphosphanium perchlorate
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(4-chlorophenyl)-triphenylphosphanium;silicic acid
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Frequently Asked Questions

What is the IUPAC name of hydrogen borate;bis(tetraphenylphosphanium)?
The IUPAC name of hydrogen borate;bis(tetraphenylphosphanium) (CID 174383886) is hydrogen borate;bis(tetraphenylphosphanium).
What is the SMILES notation for hydrogen borate;bis(tetraphenylphosphanium)?
The canonical SMILES for hydrogen borate;bis(tetraphenylphosphanium) is [O-]B([O-])O.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of hydrogen borate;bis(tetraphenylphosphanium)?
The InChIKey is GHHGDDXFGDETFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H20P.BHO3/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2-1(3)4/h2*1-20H;2H/q2*+1;-2.
What are the key properties of hydrogen borate;bis(tetraphenylphosphanium)?
hydrogen borate;bis(tetraphenylphosphanium) has a molecular weight of 738.61 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydrogen borate;bis(tetraphenylphosphanium) is sourced from PubChem (CID 174383886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).