tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))

C48H72As3B3F18P6 — CID 139170795

IUPACtris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))
SMILESC[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.C[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.C[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.F[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F
InChIInChI=1S/3C16H24BP2.3AsF6/c3*1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16;3*2-1(3,4,5,6)7/h3*5-14H,17H2,1-4H3;;;/q3*+1;3*-1
InChIKeyYWYSYBXMHSMXRM-UHFFFAOYSA-N
MW1434.11 g/mol
LogP15.99
Rot. Bonds12

About tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))

tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-)) (PubChem CID 139170795) has the molecular formula C48H72As3B3F18P6 and a molecular weight of 1434.11 g/mol. Its IUPAC name is tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-)).

Molecular Properties

Compound Nametris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))
PubChem CID139170795
Molecular FormulaC48H72As3B3F18P6
Molecular Weight1434.11 g/mol
Exact Mass1434.17
IUPAC Nametris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))
SMILESC[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.C[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.C[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.F[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F
InChIInChI=1S/3C16H24BP2.3AsF6/c3*1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16;3*2-1(3,4,5,6)7/h3*5-14H,17H2,1-4H3;;;/q3*+1;3*-1
InChIKeyYWYSYBXMHSMXRM-UHFFFAOYSA-N
XLogP15.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001434.11
LogP ≤ 515.99
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

methyl(triphenyl)phosphanium;tetrafluoroalumanuide
CID 21264908
methane;methyl-[(Z)-2-[methyl(diphenyl)phosphaniumyl]ethenyl]-diphenylphosphanium
CID 159812566
methyl(triphenyl)phosphanium hexafluorophosphate
CID 19831321
methoxy-methyl-diphenylphosphanium
CID 23415298
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
methyl-diphenyl-propan-2-ylphosphanium
CID 23412999
CID 88849598
CID 88849598
triphenyl(propan-2-yl)phosphanium hydroxide
CID 18356098
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
methyl(triphenyl)boranuide;trimethyl(phenyl)phosphanium
CID 139655494
triphenyl-[(E)-prop-1-enyl]phosphanium tetrafluoroborate
CID 10894428
dimethyl(diphenyl)phosphanium perchlorate
CID 71333893

Frequently Asked Questions

What is the IUPAC name of tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))?
The IUPAC name of tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-)) (CID 139170795) is tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-)).
What is the SMILES notation for tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))?
The canonical SMILES for tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-)) is C[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.C[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.C[P+](C)([BH2-][P+](C)(C)c1ccccc1)c1ccccc1.F[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F.F[As-](F)(F)(F)(F)F.
What is the InChIKey of tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))?
The InChIKey is YWYSYBXMHSMXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C16H24BP2.3AsF6/c3*1-18(2,15-11-7-5-8-12-15)17-19(3,4)16-13-9-6-10-14-16;3*2-1(3,4,5,6)7/h3*5-14H,17H2,1-4H3;;;/q3*+1;3*-1.
What are the key properties of tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-))?
tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-)) has a molecular weight of 1434.11 g/mol, XLogP of 15.99, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(bis[dimethyl(phenyl)phosphaniumyl]boranuide);tris(hexafluoroarsenic(1-)) is sourced from PubChem (CID 139170795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).