lithium tetraphenylboranuide

C24H20BLi — CID 23668466

IUPAClithium tetraphenylboranuide
SMILES[Li+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.Li/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
InChIKeyFTYODSBVKDFUJZ-UHFFFAOYSA-N
MW326.18 g/mol
LogP0.07
Rot. Bonds4

About lithium tetraphenylboranuide

lithium tetraphenylboranuide (PubChem CID 23668466) has the molecular formula C24H20BLi and a molecular weight of 326.18 g/mol. Its IUPAC name is lithium tetraphenylboranuide.

Molecular Properties

Compound Namelithium tetraphenylboranuide
PubChem CID23668466
Molecular FormulaC24H20BLi
Molecular Weight326.18 g/mol
Exact Mass326.18
IUPAC Namelithium tetraphenylboranuide
SMILES[Li+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B.Li/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
InChIKeyFTYODSBVKDFUJZ-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 ≤ 500326.18
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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Frequently Asked Questions

What is the IUPAC name of lithium tetraphenylboranuide?
The IUPAC name of lithium tetraphenylboranuide (CID 23668466) is lithium tetraphenylboranuide.
What is the SMILES notation for lithium tetraphenylboranuide?
The canonical SMILES for lithium tetraphenylboranuide is [Li+].c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of lithium tetraphenylboranuide?
The InChIKey is FTYODSBVKDFUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B.Li/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 lithium tetraphenylboranuide?
lithium tetraphenylboranuide has a molecular weight of 326.18 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 lithium tetraphenylboranuide is sourced from PubChem (CID 23668466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).