sodium tetraphenylboranuide

C24H20BNa — CID 2723787

IUPACsodium tetraphenylboranuide
SMILES[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.Na/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;/h1-20H;/q-1;+1
InChIKeyHFSRCEJMTLMDLI-UHFFFAOYSA-N
MW342.23 g/mol
LogP0.07
Rot. Bonds4

About sodium tetraphenylboranuide

sodium tetraphenylboranuide (PubChem CID 2723787) has the molecular formula C24H20BNa and a molecular weight of 342.23 g/mol. Its IUPAC name is sodium tetraphenylboranuide.

Molecular Properties

Compound Namesodium tetraphenylboranuide
PubChem CID2723787
Molecular FormulaC24H20BNa
Molecular Weight342.23 g/mol
Exact Mass342.16
IUPAC Namesodium tetraphenylboranuide
SMILES[Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.Na/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;/h1-20H;/q-1;+1
InChIKeyHFSRCEJMTLMDLI-UHFFFAOYSA-N
XLogP0.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Triphenyltin Chloride
CID 12540
Triphenyltin hydroxide
CID 9907219
Triphenylantimony
CID 11777
Triphenyltin fluoride
CID 9786
Triphenylbismuth
CID 11774
Triphenylborane
CID 70400
Tetraphenylphosphonium
CID 164912
Tetraphenyltin
CID 61146
Tetraphenyllead
CID 72906
Fentin
CID 91481
Tetraphenylantimony Bromide
CID 88914
Hexaphenylditin
CID 6327129

Frequently Asked Questions

What is the IUPAC name of sodium tetraphenylboranuide?
The IUPAC name of sodium tetraphenylboranuide (CID 2723787) is sodium tetraphenylboranuide.
What is the SMILES notation for sodium tetraphenylboranuide?
The canonical SMILES for sodium tetraphenylboranuide is [Na+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium tetraphenylboranuide?
The InChIKey is HFSRCEJMTLMDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.Na/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;/h1-20H;/q-1;+1.
What are the key properties of sodium tetraphenylboranuide?
sodium tetraphenylboranuide has a molecular weight of 342.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetraphenylboranuide is sourced from PubChem (CID 2723787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).