sodium triphenylborane

C18H15BNa+ — CID 14535009

IUPACsodium triphenylborane
SMILES[Na+].c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15B.Na/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q;+1
InChIKeyJRRDGJBUBDUKIL-UHFFFAOYSA-N
MW265.12 g/mol
LogP-0.79
Rot. Bonds3

About sodium triphenylborane

sodium triphenylborane (PubChem CID 14535009) has the molecular formula C18H15BNa+ and a molecular weight of 265.12 g/mol. Its IUPAC name is sodium triphenylborane.

Molecular Properties

Compound Namesodium triphenylborane
PubChem CID14535009
Molecular FormulaC18H15BNa+
Molecular Weight265.12 g/mol
Exact Mass265.12
IUPAC Namesodium triphenylborane
SMILES[Na+].c1ccc(B(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15B.Na/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q;+1
InChIKeyJRRDGJBUBDUKIL-UHFFFAOYSA-N
XLogP-0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.12
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 triphenylborane?
The IUPAC name of sodium triphenylborane (CID 14535009) is sodium triphenylborane.
What is the SMILES notation for sodium triphenylborane?
The canonical SMILES for sodium triphenylborane is [Na+].c1ccc(B(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of sodium triphenylborane?
The InChIKey is JRRDGJBUBDUKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15B.Na/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15H;/q;+1.
What are the key properties of sodium triphenylborane?
sodium triphenylborane has a molecular weight of 265.12 g/mol, XLogP of -0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium triphenylborane is sourced from PubChem (CID 14535009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).