N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine

C26H20F3NS — CID 176907528

IUPACN-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)SCC(N=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H20F3NS/c27-26(28,29)31-18-24(23-16-15-19-9-7-8-14-22(19)17-23)30-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,24H,18H2
InChIKeyLPUQXYVVKPDAHI-UHFFFAOYSA-N
MW435.51 g/mol
LogP7.67
Rot. Bonds6

About N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine

N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine (PubChem CID 176907528) has the molecular formula C26H20F3NS and a molecular weight of 435.51 g/mol. Its IUPAC name is N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine
PubChem CID176907528
Molecular FormulaC26H20F3NS
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)SCC(N=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C26H20F3NS/c27-26(28,29)31-18-24(23-16-15-19-9-7-8-14-22(19)17-23)30-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,24H,18H2
InChIKeyLPUQXYVVKPDAHI-UHFFFAOYSA-N
XLogP7.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.51
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-2,2-difluoro-3-hydroxy-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 134948100
naphthalen-2-ylmethanediol
CID 22496827
3,3,3-trifluoro-1-naphthalen-2-ylpropan-1-ol
CID 55115850
N-[1-(3,4-difluorophenyl)-3-methylbut-3-enyl]-1,1-diphenylmethanimine
CID 102223674
4,4,4-trifluoro-1-naphthalen-2-ylbutan-1-ol
CID 64565521
(1S,2S)-1-naphthalen-2-yl-2-phenyl-2-sulfanylethanol
CID 10802720
1,1-diphenyl-N-[1-phenyl-3-[4-(trifluoromethyl)phenyl]but-3-enyl]methanimine
CID 102223669
(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
CID 101186685
1-naphthalen-2-yl-3-phenylbut-3-en-1-ol
CID 102449400
2,2-difluoro-3-naphthalen-2-yl-1-phenylpropan-1-one
CID 132547557
[(1S)-1-naphthalen-2-ylethyl] benzoate
CID 10683869
1-naphthalen-2-yl-2-phenylethanol
CID 2793947

Frequently Asked Questions

What is the IUPAC name of N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine (CID 176907528) is N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine is FC(F)(F)SCC(N=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine?
The InChIKey is LPUQXYVVKPDAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3NS/c27-26(28,29)31-18-24(23-16-15-19-9-7-8-14-22(19)17-23)30-25(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-17,24H,18H2.
What are the key properties of N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine?
N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine has a molecular weight of 435.51 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-naphthalen-2-yl-2-(trifluoromethylsulfanyl)ethyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 176907528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).