decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium

C49H72P2+2 — CID 176612024

IUPACdecyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
SMILESCCCCCCCCCC[P+](CCCCCC[P+](CCCCCCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H72P2/c1-3-5-7-9-11-13-15-31-43-51(48-38-26-20-27-39-48,49-40-28-21-29-41-49)45-33-17-16-32-44-50(46-34-22-18-23-35-46,47-36-24-19-25-37-47)42-30-14-12-10-8-6-4-2/h18-29,34-41H,3-17,30-33,42-45H2,1-2H3/q+2
InChIKeyKGVSMUOXYAGGRE-UHFFFAOYSA-N
MW723.06 g/mol
LogP13.78
Rot. Bonds28

About decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium

decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium (PubChem CID 176612024) has the molecular formula C49H72P2+2 and a molecular weight of 723.06 g/mol. Its IUPAC name is decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium.

Molecular Properties

Compound Namedecyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
PubChem CID176612024
Molecular FormulaC49H72P2+2
Molecular Weight723.06 g/mol
Exact Mass722.51
IUPAC Namedecyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium
SMILESCCCCCCCCCC[P+](CCCCCC[P+](CCCCCCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H72P2/c1-3-5-7-9-11-13-15-31-43-51(48-38-26-20-27-39-48,49-40-28-21-29-41-49)45-33-17-16-32-44-50(46-34-22-18-23-35-46,47-36-24-19-25-37-47)42-30-14-12-10-8-6-4-2/h18-29,34-41H,3-17,30-33,42-45H2,1-2H3/q+2
InChIKeyKGVSMUOXYAGGRE-UHFFFAOYSA-N
XLogP13.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.06
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dodecyl-[2-[dodecyl(diphenyl)phosphaniumyl]ethyl]-diphenylphosphanium
CID 102531714
benzyl-hexyl-diphenylphosphanium chloride
CID 139486895
hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
dodecyl(triphenyl)phosphanium fluoride
CID 88725542
decyl-dimethyl-phenylphosphanium
CID 67813887
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
diphenyl(dipropyl)phosphanium chloride
CID 69307646
dodecyl-dimethyl-phenylphosphanium chloride
CID 22117723
dodecyl-diethyl-phenylphosphanium
CID 23177091
hydroxy-octyl-diphenylphosphanium
CID 67135899

Frequently Asked Questions

What is the IUPAC name of decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium?
The IUPAC name of decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium (CID 176612024) is decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium.
What is the SMILES notation for decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium?
The canonical SMILES for decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium is CCCCCCCCCC[P+](CCCCCC[P+](CCCCCCCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium?
The InChIKey is KGVSMUOXYAGGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H72P2/c1-3-5-7-9-11-13-15-31-43-51(48-38-26-20-27-39-48,49-40-28-21-29-41-49)45-33-17-16-32-44-50(46-34-22-18-23-35-46,47-36-24-19-25-37-47)42-30-14-12-10-8-6-4-2/h18-29,34-41H,3-17,30-33,42-45H2,1-2H3/q+2.
What are the key properties of decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium?
decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium has a molecular weight of 723.06 g/mol, XLogP of 13.78, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-[6-[nonyl(diphenyl)phosphaniumyl]hexyl]-diphenylphosphanium is sourced from PubChem (CID 176612024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).