[2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate

C23H15F3O3S — CID 132606707

IUPAC[2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1-c1ccccc1-c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C23H15F3O3S/c24-23(25,26)30(27,28)29-22-12-6-5-11-21(22)20-10-4-3-9-19(20)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H
InChIKeySGPOCZDCKCBDBL-UHFFFAOYSA-N
MW428.43 g/mol
LogP6.40
Rot. Bonds4

About [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate

[2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate (PubChem CID 132606707) has the molecular formula C23H15F3O3S and a molecular weight of 428.43 g/mol. Its IUPAC name is [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate.

Molecular Properties

Compound Name[2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate
PubChem CID132606707
Molecular FormulaC23H15F3O3S
Molecular Weight428.43 g/mol
Exact Mass428.07
IUPAC Name[2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccccc1-c1ccccc1-c1ccc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C23H15F3O3S/c24-23(25,26)30(27,28)29-22-12-6-5-11-21(22)20-10-4-3-9-19(20)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H
InChIKeySGPOCZDCKCBDBL-UHFFFAOYSA-N
XLogP6.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.43
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)phenyl] trifluoromethanesulfonate;sulfane
CID 130176801
[6-(2-methoxyphenyl)naphthalen-1-yl] trifluoromethanesulfonate
CID 50942709
[2-[8-[2-(trifluoromethylsulfonyloxy)phenyl]pyren-1-yl]phenyl] trifluoromethanesulfonate
CID 11995483
[2-[1-naphthalen-2-yl-5-[2-(trifluoromethylsulfonyloxy)phenyl]-1,2,4-triazol-3-yl]phenyl] trifluoromethanesulfonate
CID 166760719
[2-[2-[4-[2-[2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)phenyl]phenyl]phenyl]phenyl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 71519997
(2-quinolin-8-ylphenyl) trifluoromethanesulfonate
CID 87290128
(2-pyrimidin-2-ylphenyl) trifluoromethanesulfonate
CID 54523576
(6-anthracen-9-ylnaphthalen-2-yl) trifluoromethanesulfonate
CID 142743975
[6-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl] trifluoromethanesulfonate
CID 166850280
acridin-1-yl trifluoromethanesulfonate
CID 56994596
[2-[5-[2-[fluoro-bis(phosphanyl)methyl]sulfonyloxyphenyl]-1-naphthalen-2-yl-1,2,4-triazol-3-yl]phenyl] trifluoromethanesulfonate
CID 170237724
(2-naphthalen-2-ylphenoxy)boronic acid
CID 150538164

Frequently Asked Questions

What is the IUPAC name of [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate?
The IUPAC name of [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate (CID 132606707) is [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate.
What is the SMILES notation for [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate?
The canonical SMILES for [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate is O=S(=O)(Oc1ccccc1-c1ccccc1-c1ccc2ccccc2c1)C(F)(F)F.
What is the InChIKey of [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate?
The InChIKey is SGPOCZDCKCBDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3O3S/c24-23(25,26)30(27,28)29-22-12-6-5-11-21(22)20-10-4-3-9-19(20)18-14-13-16-7-1-2-8-17(16)15-18/h1-15H.
What are the key properties of [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate?
[2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate has a molecular weight of 428.43 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-naphthalen-2-ylphenyl)phenyl] trifluoromethanesulfonate is sourced from PubChem (CID 132606707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).