(4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate

C18H12F3NO3S — CID 138963355

IUPAC(4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C18H12F3NO3S/c19-18(20,21)26(23,24)25-17-12-15(13-7-3-1-4-8-13)11-16(22-17)14-9-5-2-6-10-14/h1-12H
InChIKeyQOFYIESPLBIKIK-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.64
Rot. Bonds4

About (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate

(4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate (PubChem CID 138963355) has the molecular formula C18H12F3NO3S and a molecular weight of 379.36 g/mol. Its IUPAC name is (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate.

Molecular Properties

Compound Name(4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate
PubChem CID138963355
Molecular FormulaC18H12F3NO3S
Molecular Weight379.36 g/mol
Exact Mass379.05
IUPAC Name(4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate
SMILESO=S(=O)(Oc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(F)(F)F
InChIInChI=1S/C18H12F3NO3S/c19-18(20,21)26(23,24)25-17-12-15(13-7-3-1-4-8-13)11-16(22-17)14-9-5-2-6-10-14/h1-12H
InChIKeyQOFYIESPLBIKIK-UHFFFAOYSA-N
XLogP4.64
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoranyl-3-[6-[1-(4-fluoranyl-3-oxidanyl-phenyl)ethenyl]pyridin-2-yl]phenol
CID 134158354
4-[6-(4-Hydroxyphenyl)pyridin-2-yl]phenol
CID 647743
4-[4-(4-Fluorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 141068091
4-[4-(3-Fluorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 168270470
4-[4-(2-Fluorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 168292555
4-(4-Trifluoromethylphenyl)-2,6-bis(4-hydroxyphenyl)pyridine
CID 137317886
4-[6-(4-Hydroxyphenyl)-4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
CID 141068099
(2-Phenylquinolin-4-yl) methanesulfonate
CID 14954068
4-[6-(4-Hydroxyphenyl)-4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]phenol
CID 168281496
2-(Trifluoromethylsulfonyloxy)-6-methylpyridine
CID 10847672
2-(Trifluoromethylsulfonyloxy)quinoline
CID 11196667
2-Methylquinolin-4-yl trifluoromethanesulfonate
CID 14657657

Frequently Asked Questions

What is the IUPAC name of (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate?
The IUPAC name of (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate (CID 138963355) is (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate.
What is the SMILES notation for (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate?
The canonical SMILES for (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate is O=S(=O)(Oc1cc(-c2ccccc2)cc(-c2ccccc2)n1)C(F)(F)F.
What is the InChIKey of (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate?
The InChIKey is QOFYIESPLBIKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO3S/c19-18(20,21)26(23,24)25-17-12-15(13-7-3-1-4-8-13)11-16(22-17)14-9-5-2-6-10-14/h1-12H.
What are the key properties of (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate?
(4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate has a molecular weight of 379.36 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diphenyl-2-pyridinyl) trifluoromethanesulfonate is sourced from PubChem (CID 138963355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).