dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide

C28H30BN — CID 22370881

IUPACdimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide
SMILESC=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)c1ccccc1
InChIInChI=1S/C20H18B.C8H11N/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-9(2)8-6-4-3-5-7-8/h2-17H,1H2;3-7H,1-2H3/q-1;/p+1
InChIKeyLHJHNQLGJZHKTP-UHFFFAOYSA-O
MW391.37 g/mol
LogP3.34
Rot. Bonds5

About dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide

dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide (PubChem CID 22370881) has the molecular formula C28H30BN and a molecular weight of 391.37 g/mol. Its IUPAC name is dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide.

Molecular Properties

Compound Namedimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide
PubChem CID22370881
Molecular FormulaC28H30BN
Molecular Weight391.37 g/mol
Exact Mass391.25
IUPAC Namedimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide
SMILESC=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)c1ccccc1
InChIInChI=1S/C20H18B.C8H11N/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-9(2)8-6-4-3-5-7-8/h2-17H,1H2;3-7H,1-2H3/q-1;/p+1
InChIKeyLHJHNQLGJZHKTP-UHFFFAOYSA-O
XLogP3.34
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide?
The IUPAC name of dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide (CID 22370881) is dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide.
What is the SMILES notation for dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide?
The canonical SMILES for dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide is C=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)c1ccccc1.
What is the InChIKey of dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide?
The InChIKey is LHJHNQLGJZHKTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18B.C8H11N/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;1-9(2)8-6-4-3-5-7-8/h2-17H,1H2;3-7H,1-2H3/q-1;/p+1.
What are the key properties of dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide?
dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide has a molecular weight of 391.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)azanium;ethenyl(triphenyl)boranuide is sourced from PubChem (CID 22370881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).