triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide

C38H34Br2P2 — CID 2785215

IUPACtriphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2.2BrH/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;;/h1-30H,31-32H2;2*1H/q+2;;/p-2
InChIKeyVRKRIHCAYUNAPF-UHFFFAOYSA-L
MW712.45 g/mol
LogP0.98
Rot. Bonds9

About triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide

triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide (PubChem CID 2785215) has the molecular formula C38H34Br2P2 and a molecular weight of 712.45 g/mol. Its IUPAC name is triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide.

Molecular Properties

Compound Nametriphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
PubChem CID2785215
Molecular FormulaC38H34Br2P2
Molecular Weight712.45 g/mol
Exact Mass710.05
IUPAC Nametriphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
SMILES[Br-].[Br-].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H34P2.2BrH/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;;/h1-30H,31-32H2;2*1H/q+2;;/p-2
InChIKeyVRKRIHCAYUNAPF-UHFFFAOYSA-L
XLogP0.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500712.45
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-hydroxyethyl(triphenyl)phosphanium bromide
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triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
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triphenyl(4-sulfanylbutyl)phosphanium bromide
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triphenyl(propyl)phosphanium;hydrochloride
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3,3-dimethylbutyl(triphenyl)phosphanium bromide
CID 71363385
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039
triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide
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hydroxymethyl(triphenyl)phosphanium bromide
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CID 88746654

Frequently Asked Questions

What is the IUPAC name of triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide?
The IUPAC name of triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide (CID 2785215) is triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide.
What is the SMILES notation for triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide?
The canonical SMILES for triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide is [Br-].[Br-].c1ccc([P+](CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide?
The InChIKey is VRKRIHCAYUNAPF-UHFFFAOYSA-L. The full InChI is InChI=1S/C38H34P2.2BrH/c1-7-19-33(20-8-1)39(34-21-9-2-10-22-34,35-23-11-3-12-24-35)31-32-40(36-25-13-4-14-26-36,37-27-15-5-16-28-37)38-29-17-6-18-30-38;;/h1-30H,31-32H2;2*1H/q+2;;/p-2.
What are the key properties of triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide?
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide has a molecular weight of 712.45 g/mol, XLogP of 0.98, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide is sourced from PubChem (CID 2785215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).