2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium

C54H56Br2O6P2+2 — CID 102205183

IUPAC2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium
SMILESBrc1cc(OCCOCCOCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)cc1OCCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H56Br2O6P2/c55-51-44-54(62-38-36-58-32-34-60-40-42-64(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50)52(56)43-53(51)61-37-35-57-31-33-59-39-41-63(45-19-7-1-8-20-45,46-21-9-2-10-22-46)47-23-11-3-12-24-47/h1-30,43-44H,31-42H2/q+2
InChIKeySCSSNKWGRFZDKB-UHFFFAOYSA-N
MW1022.79 g/mol
LogP10.02
Rot. Bonds26

About 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium

2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium (PubChem CID 102205183) has the molecular formula C54H56Br2O6P2+2 and a molecular weight of 1022.79 g/mol. Its IUPAC name is 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium.

Molecular Properties

Compound Name2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium
PubChem CID102205183
Molecular FormulaC54H56Br2O6P2+2
Molecular Weight1022.79 g/mol
Exact Mass1020.19
IUPAC Name2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium
SMILESBrc1cc(OCCOCCOCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)cc1OCCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H56Br2O6P2/c55-51-44-54(62-38-36-58-32-34-60-40-42-64(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50)52(56)43-53(51)61-37-35-57-31-33-59-39-41-63(45-19-7-1-8-20-45,46-21-9-2-10-22-46)47-23-11-3-12-24-47/h1-30,43-44H,31-42H2/q+2
InChIKeySCSSNKWGRFZDKB-UHFFFAOYSA-N
XLogP10.02
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001022.79
LogP ≤ 510.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium with MolForge

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Related Compounds

triphenyl-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethyl]phosphanium;triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 162256436
2-(2-aminoethoxy)ethyl-triphenylphosphanium iodide
CID 90424402
2-[2-(2-carboxyethoxy)ethoxy]ethyl-triphenylphosphanium
CID 135362746
[4-bromo-3-(2-methoxyethoxy)phenyl]methyl-triphenylphosphanium bromide
CID 158114324
2-aminooxyethyl(triphenyl)phosphanium
CID 88919899
2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyethoxy]ethoxy]ethyl-triphenylphosphanium
CID 21239171
2-[2-[2-[2-(2,5-dibromophenoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 53338792
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
2-bromo-4-methoxy-1-[2-(3-methylbutoxy)ethoxy]benzene
CID 104707260
2-[2-(2-bromo-4-propan-2-ylphenoxy)ethoxy]ethanol
CID 167865489
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium?
The IUPAC name of 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium (CID 102205183) is 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium.
What is the SMILES notation for 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium?
The canonical SMILES for 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium is Brc1cc(OCCOCCOCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(Br)cc1OCCOCCOCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium?
The InChIKey is SCSSNKWGRFZDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H56Br2O6P2/c55-51-44-54(62-38-36-58-32-34-60-40-42-64(48-25-13-4-14-26-48,49-27-15-5-16-28-49)50-29-17-6-18-30-50)52(56)43-53(51)61-37-35-57-31-33-59-39-41-63(45-19-7-1-8-20-45,46-21-9-2-10-22-46)47-23-11-3-12-24-47/h1-30,43-44H,31-42H2/q+2.
What are the key properties of 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium?
2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium has a molecular weight of 1022.79 g/mol, XLogP of 10.02, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2,5-dibromo-4-[2-[2-(2-triphenylphosphaniumylethoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethyl-triphenylphosphanium is sourced from PubChem (CID 102205183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).