tetraphenylboranuide

C24H20B- — CID 8934

IUPACtetraphenylboranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B/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
InChIKeySVHQOIWIRUVWII-UHFFFAOYSA-N
MW319.24 g/mol
LogP3.06
Rot. Bonds4

About tetraphenylboranuide

tetraphenylboranuide (PubChem CID 8934) has the molecular formula C24H20B- and a molecular weight of 319.24 g/mol. Its IUPAC name is tetraphenylboranuide.

Molecular Properties

Compound Nametetraphenylboranuide
PubChem CID8934
Molecular FormulaC24H20B-
Molecular Weight319.24 g/mol
Exact Mass319.17
IUPAC Nametetraphenylboranuide
SMILESc1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H20B/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
InChIKeySVHQOIWIRUVWII-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 53.06
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 tetraphenylboranuide?
The IUPAC name of tetraphenylboranuide (CID 8934) is tetraphenylboranuide.
What is the SMILES notation for tetraphenylboranuide?
The canonical SMILES for tetraphenylboranuide is c1ccc([B-](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tetraphenylboranuide?
The InChIKey is SVHQOIWIRUVWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20B/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.
What are the key properties of tetraphenylboranuide?
tetraphenylboranuide has a molecular weight of 319.24 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetraphenylboranuide is sourced from PubChem (CID 8934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).