[7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate

C20H19F3O3SSi — CID 169293670

IUPAC[7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccc(-c2ccc3ccc(OS(=O)(=O)C(F)(F)F)cc3c2)cc1
InChIInChI=1S/C20H19F3O3SSi/c1-28(2,3)19-10-7-14(8-11-19)16-5-4-15-6-9-18(13-17(15)12-16)26-27(24,25)20(21,22)23/h4-13H,1-3H3
InChIKeyVLTMVOGRLUJRSY-UHFFFAOYSA-N
MW424.52 g/mol
LogP5.28
Rot. Bonds4

About [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate

[7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate (PubChem CID 169293670) has the molecular formula C20H19F3O3SSi and a molecular weight of 424.52 g/mol. Its IUPAC name is [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate
PubChem CID169293670
Molecular FormulaC20H19F3O3SSi
Molecular Weight424.52 g/mol
Exact Mass424.08
IUPAC Name[7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate
SMILESC[Si](C)(C)c1ccc(-c2ccc3ccc(OS(=O)(=O)C(F)(F)F)cc3c2)cc1
InChIInChI=1S/C20H19F3O3SSi/c1-28(2,3)19-10-7-14(8-11-19)16-5-4-15-6-9-18(13-17(15)12-16)26-27(24,25)20(21,22)23/h4-13H,1-3H3
InChIKeyVLTMVOGRLUJRSY-UHFFFAOYSA-N
XLogP5.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.52
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 166850280
[6-(trifluoromethylsulfonyloxy)naphthalen-2-yl] trifluoromethanesulfonate
CID 11761662
trimethyl-[4-[4-[7-(4-trimethylsilylphenyl)naphthalen-2-yl]phenyl]phenyl]silane
CID 169293615
trimethyl-[4-[4-[7-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenyl]silane
CID 169293833
[6-[3-(4-cyanophenyl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 88994765
trimethyl-[4-[4-(4-naphthalen-2-ylphenyl)phenyl]phenyl]silane
CID 171056374
[4-[4-[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]phenyl]-trimethylsilane
CID 169293793
(6-anthracen-9-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 142743975
(7-phenyltriphenylen-2-yl) trifluoromethanesulfonate
CID 88923382
(9-hydroxy-6,13-dioxopentacen-2-yl) trifluoromethanesulfonate
CID 88946441
(23-methyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaen-9-yl) trifluoromethanesulfonate
CID 158081401
[2,4-bis(trimethylsilyl)phenyl] trifluoromethanesulfonate
CID 56953950

Frequently Asked Questions

What is the IUPAC name of [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
The IUPAC name of [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate (CID 169293670) is [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate.
What is the SMILES notation for [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
The canonical SMILES for [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate is C[Si](C)(C)c1ccc(-c2ccc3ccc(OS(=O)(=O)C(F)(F)F)cc3c2)cc1.
What is the InChIKey of [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
The InChIKey is VLTMVOGRLUJRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O3SSi/c1-28(2,3)19-10-7-14(8-11-19)16-5-4-15-6-9-18(13-17(15)12-16)26-27(24,25)20(21,22)23/h4-13H,1-3H3.
What are the key properties of [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate?
[7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate has a molecular weight of 424.52 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-trimethylsilylphenyl)naphthalen-2-yl] trifluoromethanesulfonate is sourced from PubChem (CID 169293670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).