[2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium

C87H106F26P5Si+5 — CID 163568302

IUPAC[2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC.C[P+](C)(C)C.C[P+](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29F13PSi.C21H17F13P.C19H18P.C13H30P.C4H12P/c1-44(22-13-6-4-7-14-22,23-15-8-5-9-16-23)24-17-11-10-12-21(24)20-45(2,3)19-18-25(31,32)26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)43;1-35(14-8-4-2-5-9-14,15-10-6-3-7-11-15)13-12-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5(2,3)4/h4-17H,18-20H2,1-3H3;2-11H,12-13H2,1H3;2-16H,1H3;5-13H2,1-4H3;1-4H3/q5*+1
InChIKeySXAGWMOSVGSRLU-UHFFFAOYSA-N
MW1828.71 g/mol
LogP27.11
Rot. Bonds33

About [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium

[2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium (PubChem CID 163568302) has the molecular formula C87H106F26P5Si+5 and a molecular weight of 1828.71 g/mol. Its IUPAC name is [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium.

Molecular Properties

Compound Name[2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium
PubChem CID163568302
Molecular FormulaC87H106F26P5Si+5
Molecular Weight1828.71 g/mol
Exact Mass1827.63
IUPAC Name[2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium
SMILESCCCC[P+](C)(CCCC)CCCC.C[P+](C)(C)C.C[P+](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H29F13PSi.C21H17F13P.C19H18P.C13H30P.C4H12P/c1-44(22-13-6-4-7-14-22,23-15-8-5-9-16-23)24-17-11-10-12-21(24)20-45(2,3)19-18-25(31,32)26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)43;1-35(14-8-4-2-5-9-14,15-10-6-3-7-11-15)13-12-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5(2,3)4/h4-17H,18-20H2,1-3H3;2-11H,12-13H2,1H3;2-16H,1H3;5-13H2,1-4H3;1-4H3/q5*+1
InChIKeySXAGWMOSVGSRLU-UHFFFAOYSA-N
XLogP27.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds33
Heavy Atoms119
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001828.71
LogP ≤ 527.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium?
The IUPAC name of [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium (CID 163568302) is [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium.
What is the SMILES notation for [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium?
The canonical SMILES for [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium is CCCC[P+](C)(CCCC)CCCC.C[P+](C)(C)C.C[P+](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1.C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)Cc1ccccc1[P+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium?
The InChIKey is SXAGWMOSVGSRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29F13PSi.C21H17F13P.C19H18P.C13H30P.C4H12P/c1-44(22-13-6-4-7-14-22,23-15-8-5-9-16-23)24-17-11-10-12-21(24)20-45(2,3)19-18-25(31,32)26(33,34)27(35,36)28(37,38)29(39,40)30(41,42)43;1-35(14-8-4-2-5-9-14,15-10-6-3-7-11-15)13-12-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-5-8-11-14(4,12-9-6-2)13-10-7-3;1-5(2,3)4/h4-17H,18-20H2,1-3H3;2-11H,12-13H2,1H3;2-16H,1H3;5-13H2,1-4H3;1-4H3/q5*+1.
What are the key properties of [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium?
[2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium has a molecular weight of 1828.71 g/mol, XLogP of 27.11, 33 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[dimethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]methyl]phenyl]-methyl-diphenylphosphanium;methyl-diphenyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium;methyl(triphenyl)phosphanium;tetramethylphosphanium;tributyl(methyl)phosphanium is sourced from PubChem (CID 163568302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).