[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium

C59H54P3+3 — CID 101168782

IUPAC[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H54P3/c1-59(47-60(50-29-11-2-12-30-50,51-31-13-3-14-32-51)52-33-15-4-16-34-52,48-61(53-35-17-5-18-36-53,54-37-19-6-20-38-54)55-39-21-7-22-40-55)49-62(56-41-23-8-24-42-56,57-43-25-9-26-44-57)58-45-27-10-28-46-58/h2-46H,47-49H2,1H3/q+3
InChIKeyQSSZYQGKXREJIT-UHFFFAOYSA-N
MW856.00 g/mol
LogP10.98
Rot. Bonds15

About [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium

[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium (PubChem CID 101168782) has the molecular formula C59H54P3+3 and a molecular weight of 856.00 g/mol. Its IUPAC name is [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
PubChem CID101168782
Molecular FormulaC59H54P3+3
Molecular Weight856.00 g/mol
Exact Mass855.34
IUPAC Name[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium
SMILESCC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C59H54P3/c1-59(47-60(50-29-11-2-12-30-50,51-31-13-3-14-32-51)52-33-15-4-16-34-52,48-61(53-35-17-5-18-36-53,54-37-19-6-20-38-54)55-39-21-7-22-40-55)49-62(56-41-23-8-24-42-56,57-43-25-9-26-44-57)58-45-27-10-28-46-58/h2-46H,47-49H2,1H3/q+3
InChIKeyQSSZYQGKXREJIT-UHFFFAOYSA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.00
LogP ≤ 510.98
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

3,3-dimethylbutyl(triphenyl)phosphanium bromide
CID 71363385
triphenyl-(2,2,4,4-tetramethyl-5-oxohexyl)phosphanium
CID 134400894
ethyl(triphenyl)phosphanium;hexahydrofluoride
CID 174986237
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
CID 172998208
CID 172998208
[tert-butyl(ethyl)sulfonio]methyl-triphenylphosphanium ditetrafluoroborate
CID 134893435
(3,3-dimethyl-2-oxobutyl)-triphenylphosphanium bromide
CID 19850748
[(2S)-3-hydroxy-2,3-dimethylbutyl]-triphenylphosphanium fluoride
CID 87056097
aminomethyl(triphenyl)phosphanium
CID 155040126
tris(ethyl(triphenyl)phosphanium);phosphite
CID 157236342
chloromethyl(triphenyl)phosphanium;methanolate
CID 18356085

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium?
The IUPAC name of [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium (CID 101168782) is [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium.
What is the SMILES notation for [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium?
The canonical SMILES for [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium is CC(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium?
The InChIKey is QSSZYQGKXREJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54P3/c1-59(47-60(50-29-11-2-12-30-50,51-31-13-3-14-32-51)52-33-15-4-16-34-52,48-61(53-35-17-5-18-36-53,54-37-19-6-20-38-54)55-39-21-7-22-40-55)49-62(56-41-23-8-24-42-56,57-43-25-9-26-44-57)58-45-27-10-28-46-58/h2-46H,47-49H2,1H3/q+3.
What are the key properties of [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium?
[2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium has a molecular weight of 856.00 g/mol, XLogP of 10.98, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-triphenylphosphaniumyl-2-(triphenylphosphaniumylmethyl)propyl]-triphenylphosphanium is sourced from PubChem (CID 101168782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).