sodium;boric acid;hydride;tetraphenylboranuide

C24H24B2NaO3- — CID 173188493

IUPACsodium;boric acid;hydride;tetraphenylboranuide
SMILESOB(O)O.[H-].[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.BH3O3.Na.H/c1-5-13-21(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;;/h1-20H;2-4H;;/q-1;;+1;-1
InChIKeyOBNCKUMPDGMZGF-UHFFFAOYSA-N
MW405.07 g/mol
LogP-1.87
Rot. Bonds4

About sodium;boric acid;hydride;tetraphenylboranuide

sodium;boric acid;hydride;tetraphenylboranuide (PubChem CID 173188493) has the molecular formula C24H24B2NaO3- and a molecular weight of 405.07 g/mol. Its IUPAC name is sodium;boric acid;hydride;tetraphenylboranuide.

Molecular Properties

Compound Namesodium;boric acid;hydride;tetraphenylboranuide
PubChem CID173188493
Molecular FormulaC24H24B2NaO3-
Molecular Weight405.07 g/mol
Exact Mass405.18
IUPAC Namesodium;boric acid;hydride;tetraphenylboranuide
SMILESOB(O)O.[H-].[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.BH3O3.Na.H/c1-5-13-21(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;;/h1-20H;2-4H;;/q-1;;+1;-1
InChIKeyOBNCKUMPDGMZGF-UHFFFAOYSA-N
XLogP-1.87
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.07
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;boric acid;hydride;tetraphenylboranuide?
The IUPAC name of sodium;boric acid;hydride;tetraphenylboranuide (CID 173188493) is sodium;boric acid;hydride;tetraphenylboranuide.
What is the SMILES notation for sodium;boric acid;hydride;tetraphenylboranuide?
The canonical SMILES for sodium;boric acid;hydride;tetraphenylboranuide is OB(O)O.[H-].[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium;boric acid;hydride;tetraphenylboranuide?
The InChIKey is OBNCKUMPDGMZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.BH3O3.Na.H/c1-5-13-21(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;;/h1-20H;2-4H;;/q-1;;+1;-1.
What are the key properties of sodium;boric acid;hydride;tetraphenylboranuide?
sodium;boric acid;hydride;tetraphenylboranuide has a molecular weight of 405.07 g/mol, XLogP of -1.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;boric acid;hydride;tetraphenylboranuide is sourced from PubChem (CID 173188493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).