tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)

C48H100B4N8O8 — CID 140993389

IUPACtetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)
SMILESC[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1
InChIInChI=1S/4C6H5BO2.8C3H9N/c4*8-7(9)6-4-2-1-3-5-6;8*1-4(2)3/h4*1-5H;8*1-3H3/q4*-2;;;;;;;;/p+8
InChIKeyFHOWDWAWZSMXSV-UHFFFAOYSA-V
MW960.62 g/mol
LogP-17.50
Rot. Bonds4

About tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)

tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium) (PubChem CID 140993389) has the molecular formula C48H100B4N8O8 and a molecular weight of 960.62 g/mol. Its IUPAC name is tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium).

Molecular Properties

Compound Nametetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)
PubChem CID140993389
Molecular FormulaC48H100B4N8O8
Molecular Weight960.62 g/mol
Exact Mass960.80
IUPAC Nametetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)
SMILESC[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1
InChIInChI=1S/4C6H5BO2.8C3H9N/c4*8-7(9)6-4-2-1-3-5-6;8*1-4(2)3/h4*1-5H;8*1-3H3/q4*-2;;;;;;;;/p+8
InChIKeyFHOWDWAWZSMXSV-UHFFFAOYSA-V
XLogP-17.50
TPSA220.00 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500960.62
LogP ≤ 5-17.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium) with MolForge

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

Launch Full Analysis

Related Compounds

bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane
CID 141011580
octasodium;tetrakis(dioxido(phenyl)borane)
CID 140976436
octapotassium;tetrakis(dioxido(phenyl)borane)
CID 141040714
dioxido(phenyl)borane;bis(tetraethylazanium)
CID 141151570
(dimethyl(phenyl)azanium);dodecaborate
CID 139692201
naphthalene;trimethylazanium;chloride
CID 89236308
dipotassium;(4-methoxyphenyl)-dioxidoborane
CID 163211684
(3-methylphenyl)-dioxidoborane;bis(2,4,6-trimethylpyridin-1-ium)
CID 170553385
N-methylbenzeneamine oxide
CID 87928145
N-diphenylboranylmethanamine
CID 4233319
ethane;phenylboronic acid
CID 54560949
bromo-methyl-phenylborane
CID 67944341

Frequently Asked Questions

What is the IUPAC name of tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)?
The IUPAC name of tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium) (CID 140993389) is tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium).
What is the SMILES notation for tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)?
The canonical SMILES for tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium) is C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.C[NH+](C)C.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.
What is the InChIKey of tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)?
The InChIKey is FHOWDWAWZSMXSV-UHFFFAOYSA-V. The full InChI is InChI=1S/4C6H5BO2.8C3H9N/c4*8-7(9)6-4-2-1-3-5-6;8*1-4(2)3/h4*1-5H;8*1-3H3/q4*-2;;;;;;;;/p+8.
What are the key properties of tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)?
tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium) has a molecular weight of 960.62 g/mol, XLogP of -17.50, 4 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium) is sourced from PubChem (CID 140993389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).