bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane

C22H29BN2O2 — CID 141011580

IUPACbis(dimethyl(phenyl)azanium);dioxido(phenyl)borane
SMILESC[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.[O-]B([O-])c1ccccc1
InChIInChI=1S/2C8H11N.C6H5BO2/c2*1-9(2)8-6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h2*3-7H,1-2H3;1-5H/q;;-2/p+2
InChIKeyBNYXZKJURVPROU-UHFFFAOYSA-P
MW364.30 g/mol
LogP-0.97
Rot. Bonds3

About bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane

bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane (PubChem CID 141011580) has the molecular formula C22H29BN2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane.

Molecular Properties

Compound Namebis(dimethyl(phenyl)azanium);dioxido(phenyl)borane
PubChem CID141011580
Molecular FormulaC22H29BN2O2
Molecular Weight364.30 g/mol
Exact Mass364.23
IUPAC Namebis(dimethyl(phenyl)azanium);dioxido(phenyl)borane
SMILESC[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.[O-]B([O-])c1ccccc1
InChIInChI=1S/2C8H11N.C6H5BO2/c2*1-9(2)8-6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h2*3-7H,1-2H3;1-5H/q;;-2/p+2
InChIKeyBNYXZKJURVPROU-UHFFFAOYSA-P
XLogP-0.97
TPSA55.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(dimethyl(phenyl)azanium);dodecaborate
CID 139692201
tetrakis(dioxido(phenyl)borane);octakis(trimethylazanium)
CID 140993389
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CID 141040714
octasodium;tetrakis(dioxido(phenyl)borane)
CID 140976436
dioxido(phenyl)borane;bis(tetraethylazanium)
CID 141151570
N-methylbenzeneamine oxide
CID 87928145
cyclohex-2-en-1-yloxy(dioxido)borane;bis(dimethyl(phenyl)azanium)
CID 139836069
bis(dimethyl(phenyl)azanium);hydron;tris(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
CID 139997769
tris(ethyl(diphenyl)azanium);borate
CID 141121893
dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide
CID 22370881
dipotassium;(4-methoxyphenyl)-dioxidoborane
CID 163211684
(3-methylphenyl)-dioxidoborane;bis(2,4,6-trimethylpyridin-1-ium)
CID 170553385

Frequently Asked Questions

What is the IUPAC name of bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane?
The IUPAC name of bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane (CID 141011580) is bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane.
What is the SMILES notation for bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane?
The canonical SMILES for bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane is C[NH+](C)c1ccccc1.C[NH+](C)c1ccccc1.[O-]B([O-])c1ccccc1.
What is the InChIKey of bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane?
The InChIKey is BNYXZKJURVPROU-UHFFFAOYSA-P. The full InChI is InChI=1S/2C8H11N.C6H5BO2/c2*1-9(2)8-6-4-3-5-7-8;8-7(9)6-4-2-1-3-5-6/h2*3-7H,1-2H3;1-5H/q;;-2/p+2.
What are the key properties of bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane?
bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane has a molecular weight of 364.30 g/mol, XLogP of -0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethyl(phenyl)azanium);dioxido(phenyl)borane is sourced from PubChem (CID 141011580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).