triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide

C36H30Br2OP2 — CID 87509247

IUPACtriphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30OP2.2BrH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;/h1-30H;2*1H/q+2;;/p-2
InChIKeyOALCIAYCZSYKFQ-UHFFFAOYSA-L
MW700.39 g/mol
LogP0.83
Rot. Bonds8

About triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide

triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide (PubChem CID 87509247) has the molecular formula C36H30Br2OP2 and a molecular weight of 700.39 g/mol. Its IUPAC name is triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide.

Molecular Properties

Compound Nametriphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
PubChem CID87509247
Molecular FormulaC36H30Br2OP2
Molecular Weight700.39 g/mol
Exact Mass698.01
IUPAC Nametriphenyl(triphenylphosphaniumyloxy)phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30OP2.2BrH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;/h1-30H;2*1H/q+2;;/p-2
InChIKeyOALCIAYCZSYKFQ-UHFFFAOYSA-L
XLogP0.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500700.39
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methoxy(triphenyl)phosphanium;hydrobromide
CID 174550748
ethoxy(triphenyl)phosphanium
CID 10092776
ethoxy(triphenyl)phosphanium chloride
CID 154791752
ethoxy(triphenyl)phosphanium;hydrochloride
CID 175230805
2-triphenylphosphaniumyloxyethanethiolate
CID 134876851
manganese(2+);methyl(triphenyl)phosphanium;dibromide
CID 175373163
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
methoxy-methyl-diphenylphosphanium
CID 23415298
bromo(triphenyl)phosphanium;molecular bromine;bromide
CID 139136387
palladium;tetraphenylphosphanium
CID 76575044
triphenyl(1-phenylpropan-2-yloxy)phosphanium tetrafluoroborate
CID 10074044
methylphosphanyl(triphenyl)phosphanium bromide
CID 174748079

Frequently Asked Questions

What is the IUPAC name of triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide?
The IUPAC name of triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide (CID 87509247) is triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide.
What is the SMILES notation for triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide?
The canonical SMILES for triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide is [Br-].[Br-].c1ccc([P+](O[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide?
The InChIKey is OALCIAYCZSYKFQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C36H30OP2.2BrH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;;/h1-30H;2*1H/q+2;;/p-2.
What are the key properties of triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide?
triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide has a molecular weight of 700.39 g/mol, XLogP of 0.83, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(triphenylphosphaniumyloxy)phosphanium dibromide is sourced from PubChem (CID 87509247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).