sodium hydroxy(triphenyl)boranuide

C18H16BNaO — CID 23687321

IUPACsodium hydroxy(triphenyl)boranuide
SMILESO[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C18H16BO.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q-1;+1
InChIKeySUZMSMLUONFLDA-UHFFFAOYSA-N
MW282.13 g/mol
LogP-1.35
Rot. Bonds3

About sodium hydroxy(triphenyl)boranuide

sodium hydroxy(triphenyl)boranuide (PubChem CID 23687321) has the molecular formula C18H16BNaO and a molecular weight of 282.13 g/mol. Its IUPAC name is sodium hydroxy(triphenyl)boranuide.

Molecular Properties

Compound Namesodium hydroxy(triphenyl)boranuide
PubChem CID23687321
Molecular FormulaC18H16BNaO
Molecular Weight282.13 g/mol
Exact Mass282.12
IUPAC Namesodium hydroxy(triphenyl)boranuide
SMILESO[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Na+]
InChIInChI=1S/C18H16BO.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q-1;+1
InChIKeySUZMSMLUONFLDA-UHFFFAOYSA-N
XLogP-1.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze sodium hydroxy(triphenyl)boranuide 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 sodium hydroxy(triphenyl)boranuide?
The IUPAC name of sodium hydroxy(triphenyl)boranuide (CID 23687321) is sodium hydroxy(triphenyl)boranuide.
What is the SMILES notation for sodium hydroxy(triphenyl)boranuide?
The canonical SMILES for sodium hydroxy(triphenyl)boranuide is O[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Na+].
What is the InChIKey of sodium hydroxy(triphenyl)boranuide?
The InChIKey is SUZMSMLUONFLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BO.Na/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h1-15,20H;/q-1;+1.
What are the key properties of sodium hydroxy(triphenyl)boranuide?
sodium hydroxy(triphenyl)boranuide has a molecular weight of 282.13 g/mol, XLogP of -1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy(triphenyl)boranuide is sourced from PubChem (CID 23687321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).