Potassium triphenylboranuide

C18H16BK — CID 23681139

IUPACpotassium triphenylboranuide
SMILES[BH-](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[K+]
InChIInChI=1S/C18H16B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;/q-1;+1
InChIKeyRHWPQWOBMSRXHC-UHFFFAOYSA-N
MW282.20 g/mol
LogP—
Rot. Bonds3

About Potassium triphenylboranuide

Potassium triphenylboranuide (PubChem CID 23681139) has the molecular formula C18H16BK and a molecular weight of 282.20 g/mol. Its IUPAC name is potassium triphenylboranuide.

Molecular Properties

Compound NamePotassium triphenylboranuide
PubChem CID23681139
Molecular FormulaC18H16BK
Molecular Weight282.20 g/mol
Exact Mass282.10
IUPAC Namepotassium triphenylboranuide
SMILES[BH-](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[K+]
InChIInChI=1S/C18H16B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;/q-1;+1
InChIKeyRHWPQWOBMSRXHC-UHFFFAOYSA-N
XLogP—
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity207

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze Potassium triphenylboranuide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Potassium triphenylboranuide?
The IUPAC name of Potassium triphenylboranuide (CID 23681139) is potassium triphenylboranuide.
What is the SMILES notation for Potassium triphenylboranuide?
The canonical SMILES for Potassium triphenylboranuide is [BH-](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[K+].
What is the InChIKey of Potassium triphenylboranuide?
The InChIKey is RHWPQWOBMSRXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16B.K/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,19H;/q-1;+1.
What are the key properties of Potassium triphenylboranuide?
Potassium triphenylboranuide has a molecular weight of 282.20 g/mol, XLogP of not available, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Potassium triphenylboranuide is sourced from PubChem (CID 23681139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).