1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene

C23H17FS — CID 139249064

IUPAC1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene
SMILESCc1cc(Sc2cccc3ccccc23)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H17FS/c1-16-13-19(17-9-11-20(24)12-10-17)15-21(14-16)25-23-8-4-6-18-5-2-3-7-22(18)23/h2-15H,1H3
InChIKeyROEOZWHIMAZFSN-UHFFFAOYSA-N
MW344.45 g/mol
LogP7.11
Rot. Bonds3

About 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene

1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene (PubChem CID 139249064) has the molecular formula C23H17FS and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene
PubChem CID139249064
Molecular FormulaC23H17FS
Molecular Weight344.45 g/mol
Exact Mass344.10
IUPAC Name1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene
SMILESCc1cc(Sc2cccc3ccccc23)cc(-c2ccc(F)cc2)c1
InChIInChI=1S/C23H17FS/c1-16-13-19(17-9-11-20(24)12-10-17)15-21(14-16)25-23-8-4-6-18-5-2-3-7-22(18)23/h2-15H,1H3
InChIKeyROEOZWHIMAZFSN-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(((1-Naphthylmethyl)thio)methyl)naphthalene
CID 233907
[1,1'-Binaphthalene]-2,2'-dithiol
CID 625302
1-Methyl-2-tritylsulfanylbenzene
CID 408597
8-Methyl-14-phenyl-3-phenylsulfanyl-14-thioniatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaene chloride
CID 5458338
1-(Phenylthio)naphthalene
CID 291319
2-(Phenylsulfanyl)naphthalene
CID 291320
(Naphthalen-1-yl)(diphenyl)sulfanium trifluoromethanesulfonate
CID 16217888
Di(1-naphthyl)sulfide
CID 625448
1,1'-Sulfinyldinaphthalene
CID 14001577
Naphthyl phenyl sulfoxide
CID 19876177
6-Methyl-2-phenyl-10-(phenylthio)-1,2-dihydro-24-anthra[1,9-bc]thiophene
CID 3246498
(1R)-2,2'-Bis((S)-(4-methylphenyl)sulfinyl)-1,1'-binaphthalene
CID 101846116

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene?
The IUPAC name of 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene (CID 139249064) is 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene?
The canonical SMILES for 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene is Cc1cc(Sc2cccc3ccccc23)cc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene?
The InChIKey is ROEOZWHIMAZFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FS/c1-16-13-19(17-9-11-20(24)12-10-17)15-21(14-16)25-23-8-4-6-18-5-2-3-7-22(18)23/h2-15H,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene?
1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene has a molecular weight of 344.45 g/mol, XLogP of 7.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-5-methylphenyl]sulfanylnaphthalene is sourced from PubChem (CID 139249064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).