(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine

C23H18F3NS — CID 102042712

IUPAC(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine
SMILESCc1ccc(S/C(=C\C(=N\c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C23H18F3NS/c1-17-12-14-20(15-13-17)28-21(18-8-4-2-5-9-18)16-22(23(24,25)26)27-19-10-6-3-7-11-19/h2-16H,1H3/b21-16-,27-22-
InChIKeyDUNRUJHNEROZCB-GHLMXXQOSA-N
MW397.47 g/mol
LogP7.46
Rot. Bonds5

About (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine

(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine (PubChem CID 102042712) has the molecular formula C23H18F3NS and a molecular weight of 397.47 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine
PubChem CID102042712
Molecular FormulaC23H18F3NS
Molecular Weight397.47 g/mol
Exact Mass397.11
IUPAC Name(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine
SMILESCc1ccc(S/C(=C\C(=N\c2ccccc2)C(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C23H18F3NS/c1-17-12-14-20(15-13-17)28-21(18-8-4-2-5-9-18)16-22(23(24,25)26)27-19-10-6-3-7-11-19/h2-16H,1H3/b21-16-,27-22-
InChIKeyDUNRUJHNEROZCB-GHLMXXQOSA-N
XLogP7.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 57.46
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

2,4-Diphenyl-2,3-dihydro-1,5-benzothiazepine
CID 611171
3-phenyl-6-(trifluoromethyl)-2H-1,4-benzothiazine
CID 24905609
phenyl 1-phenylselanyl-N-[4-(trifluoromethyl)phenyl]methanimidothioate
CID 16102199
2-(4-Fluorophenyl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine
CID 139217277
Methyl-phenyl-phenylimino-[3-(trifluoromethyl)phenyl]imino-lambda6-sulfane
CID 162401132
2-(4-Fluorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
CID 16069733
3-(4'-trifluoromethylphenylimino)-3H-phenothiazine
CID 10150159
1-Isothiocyanato-4-[4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 14076025
N-(3-fluoro-5-methylsulfanylphenyl)-1,1-diphenylmethanimine
CID 22031851
Benzhydrylidene-(2-fluoro-5-methylsulfanylphenyl)-amine
CID 22031902
cyclohexylmethyl N-(3-fluorophenyl)-3-phenylsulfanylprop-2-enimidothioate
CID 58579759
(2-methylcyclohexyl) 3-(4-fluorophenyl)sulfanyl-N-phenylprop-2-enimidothioate
CID 58579762

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine (CID 102042712) is (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine is Cc1ccc(S/C(=C\C(=N\c2ccccc2)C(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine?
The InChIKey is DUNRUJHNEROZCB-GHLMXXQOSA-N. The full InChI is InChI=1S/C23H18F3NS/c1-17-12-14-20(15-13-17)28-21(18-8-4-2-5-9-18)16-22(23(24,25)26)27-19-10-6-3-7-11-19/h2-16H,1H3/b21-16-,27-22-.
What are the key properties of (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine?
(Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine has a molecular weight of 397.47 g/mol, XLogP of 7.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-(4-methylphenyl)sulfanyl-N,4-diphenylbut-3-en-2-imine is sourced from PubChem (CID 102042712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).