triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium

C48H54P2Se2+2 — CID 101437845

IUPACtriphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
SMILESc1ccc([P+](CCCCCC[Se][Se]CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H54P2Se2/c1(23-39-49(43-27-11-5-12-28-43,44-29-13-6-14-30-44)45-31-15-7-16-32-45)3-25-41-51-52-42-26-4-2-24-40-50(46-33-17-8-18-34-46,47-35-19-9-20-36-47)48-37-21-10-22-38-48/h5-22,27-38H,1-4,23-26,39-42H2/q+2
InChIKeyWXASERIPUFARNO-UHFFFAOYSA-N
MW850.83 g/mol
LogP10.26
Rot. Bonds21

About triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium

triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium (PubChem CID 101437845) has the molecular formula C48H54P2Se2+2 and a molecular weight of 850.83 g/mol. Its IUPAC name is triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
PubChem CID101437845
Molecular FormulaC48H54P2Se2+2
Molecular Weight850.83 g/mol
Exact Mass852.20
IUPAC Nametriphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium
SMILESc1ccc([P+](CCCCCC[Se][Se]CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C48H54P2Se2/c1(23-39-49(43-27-11-5-12-28-43,44-29-13-6-14-30-44)45-31-15-7-16-32-45)3-25-41-51-52-42-26-4-2-24-40-50(46-33-17-8-18-34-46,47-35-19-9-20-36-47)48-37-21-10-22-38-48/h5-22,27-38H,1-4,23-26,39-42H2/q+2
InChIKeyWXASERIPUFARNO-UHFFFAOYSA-N
XLogP10.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.83
LogP ≤ 510.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(3-triphenylphosphaniumylpropyl)phosphanium;hydrobromide
CID 22210440
hexyl(triphenyl)phosphanium
CID 2724570
8-bromooctyl(triphenyl)phosphanium
CID 11991463
5-bromopentyl(triphenyl)phosphanium
CID 53436148
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
triphenyl(undecyl)phosphanium chloride
CID 22921220
triphenyl(11-phenylundecyl)phosphanium
CID 23583359
dodecyl(triphenyl)phosphanium iodide
CID 22245251
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
4-iodobutyl(triphenyl)phosphanium
CID 16760510

Frequently Asked Questions

What is the IUPAC name of triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium?
The IUPAC name of triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium (CID 101437845) is triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium.
What is the SMILES notation for triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium?
The canonical SMILES for triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium is c1ccc([P+](CCCCCC[Se][Se]CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium?
The InChIKey is WXASERIPUFARNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H54P2Se2/c1(23-39-49(43-27-11-5-12-28-43,44-29-13-6-14-30-44)45-31-15-7-16-32-45)3-25-41-51-52-42-26-4-2-24-40-50(46-33-17-8-18-34-46,47-35-19-9-20-36-47)48-37-21-10-22-38-48/h5-22,27-38H,1-4,23-26,39-42H2/q+2.
What are the key properties of triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium?
triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium has a molecular weight of 850.83 g/mol, XLogP of 10.26, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[6-(6-triphenylphosphaniumylhexyldiselanyl)hexyl]phosphanium is sourced from PubChem (CID 101437845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).