methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium

C28H32BP — CID 139655494

IUPACmethyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium
SMILESC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](C)(C)c1ccccc1
InChIInChI=1S/C19H18B.C9H14P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-10(2,3)9-7-5-4-6-8-9/h2-16H,1H3;4-8H,1-3H3/q-1;+1
InChIKeyVZTZIDVYGNLCTC-UHFFFAOYSA-N
MW410.35 g/mol
LogP5.01
Rot. Bonds4

About methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium

methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium (PubChem CID 139655494) has the molecular formula C28H32BP and a molecular weight of 410.35 g/mol. Its IUPAC name is methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium.

Molecular Properties

Compound Namemethyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium
PubChem CID139655494
Molecular FormulaC28H32BP
Molecular Weight410.35 g/mol
Exact Mass410.23
IUPAC Namemethyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium
SMILESC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](C)(C)c1ccccc1
InChIInChI=1S/C19H18B.C9H14P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-10(2,3)9-7-5-4-6-8-9/h2-16H,1H3;4-8H,1-3H3/q-1;+1
InChIKeyVZTZIDVYGNLCTC-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;trimethyl(phenyl)boranuide
CID 91180223
methoxy-methyl-diphenylphosphanium
CID 23415298
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
methyl-diphenyl-propan-2-ylphosphanium
CID 23412999
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))
CID 139170795
ditert-butyl(dimethyl)phosphanium;tetraphenylboranuide
CID 163300031
methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
dimethylamino-dimethyl-phenylphosphanium
CID 23415277
dimethyl(diphenyl)phosphanium perchlorate
CID 71333893
methane;methyl-[(Z)-2-[methyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium
CID 159812566

Frequently Asked Questions

What is the IUPAC name of methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium?
The IUPAC name of methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium (CID 139655494) is methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium.
What is the SMILES notation for methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium?
The canonical SMILES for methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium is C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[P+](C)(C)c1ccccc1.
What is the InChIKey of methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium?
The InChIKey is VZTZIDVYGNLCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18B.C9H14P/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-10(2,3)9-7-5-4-6-8-9/h2-16H,1H3;4-8H,1-3H3/q-1;+1.
What are the key properties of methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium?
methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium has a molecular weight of 410.35 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium is sourced from PubChem (CID 139655494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).