octasodium;tetrakis(dioxido(phenyl)borane)

C24H20B4Na8O8 — CID 140976436

IUPACoctasodium;tetrakis(dioxido(phenyl)borane)
SMILES[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1
InChIInChI=1S/4C6H5BO2.8Na/c4*8-7(9)6-4-2-1-3-5-6;;;;;;;;/h4*1-5H;;;;;;;;/q4*-2;8*+1
InChIKeyLSLSABVFVJLSDT-UHFFFAOYSA-N
MW663.58 g/mol
LogP-31.56
Rot. Bonds4

About octasodium;tetrakis(dioxido(phenyl)borane)

octasodium;tetrakis(dioxido(phenyl)borane) (PubChem CID 140976436) has the molecular formula C24H20B4Na8O8 and a molecular weight of 663.58 g/mol. Its IUPAC name is octasodium;tetrakis(dioxido(phenyl)borane).

Molecular Properties

Compound Nameoctasodium;tetrakis(dioxido(phenyl)borane)
PubChem CID140976436
Molecular FormulaC24H20B4Na8O8
Molecular Weight663.58 g/mol
Exact Mass664.07
IUPAC Nameoctasodium;tetrakis(dioxido(phenyl)borane)
SMILES[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1
InChIInChI=1S/4C6H5BO2.8Na/c4*8-7(9)6-4-2-1-3-5-6;;;;;;;;/h4*1-5H;;;;;;;;/q4*-2;8*+1
InChIKeyLSLSABVFVJLSDT-UHFFFAOYSA-N
XLogP-31.56
TPSA184.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.58
LogP ≤ 5-31.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

octapotassium;tetrakis(dioxido(phenyl)borane)
CID 141040714
tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)
CID 140993389
bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane
CID 141011580
dioxido(phenyl)borane;bis(tetraethylazanium)
CID 141151570
sodium triphenylborane
CID 14535009
disodium diphenoxide
CID 15819849
tetrasodium;tetraphenoxide
CID 159915376
disodium;hydride;phenoxide
CID 173446882
dipotassium;(4-methoxyphenyl)-dioxidoborane
CID 163211684
disodium;(4-methylsulfonylphenyl)-dioxidoborane
CID 172562090
phenylazanium;borate
CID 66915705
hafnium diphenoxide
CID 175882420

Frequently Asked Questions

What is the IUPAC name of octasodium;tetrakis(dioxido(phenyl)borane)?
The IUPAC name of octasodium;tetrakis(dioxido(phenyl)borane) (CID 140976436) is octasodium;tetrakis(dioxido(phenyl)borane).
What is the SMILES notation for octasodium;tetrakis(dioxido(phenyl)borane)?
The canonical SMILES for octasodium;tetrakis(dioxido(phenyl)borane) is [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.[O-]B([O-])c1ccccc1.
What is the InChIKey of octasodium;tetrakis(dioxido(phenyl)borane)?
The InChIKey is LSLSABVFVJLSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H5BO2.8Na/c4*8-7(9)6-4-2-1-3-5-6;;;;;;;;/h4*1-5H;;;;;;;;/q4*-2;8*+1.
What are the key properties of octasodium;tetrakis(dioxido(phenyl)borane)?
octasodium;tetrakis(dioxido(phenyl)borane) has a molecular weight of 663.58 g/mol, XLogP of -31.56, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octasodium;tetrakis(dioxido(phenyl)borane) is sourced from PubChem (CID 140976436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).