[4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone

C32H22F2O2S2 — CID 139748104

IUPAC[4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Sc3ccc(-c4cc(F)ccc4Sc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H22F2O2S2/c1-36-26-11-2-22(3-12-26)32(35)23-6-15-28(16-7-23)37-27-13-4-21(5-14-27)30-20-25(34)10-19-31(30)38-29-17-8-24(33)9-18-29/h2-20H,1H3
InChIKeyMLLZJBZFMJQGAO-UHFFFAOYSA-N
MW540.66 g/mol
LogP9.17
Rot. Bonds8

About [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone

[4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone (PubChem CID 139748104) has the molecular formula C32H22F2O2S2 and a molecular weight of 540.66 g/mol. Its IUPAC name is [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone
PubChem CID139748104
Molecular FormulaC32H22F2O2S2
Molecular Weight540.66 g/mol
Exact Mass540.10
IUPAC Name[4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Sc3ccc(-c4cc(F)ccc4Sc4ccc(F)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H22F2O2S2/c1-36-26-11-2-22(3-12-26)32(35)23-6-15-28(16-7-23)37-27-13-4-21(5-14-27)30-20-25(34)10-19-31(30)38-29-17-8-24(33)9-18-29/h2-20H,1H3
InChIKeyMLLZJBZFMJQGAO-UHFFFAOYSA-N
XLogP9.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.66
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-(4-fluorophenyl)sulfanyl-1,3-bis(4-methoxyphenyl)prop-2-en-1-one
CID 24957424
(E)-1-(4-methoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 5378221
3-(4-Methoxyphenyl)-1-phenyl-3-phenylsulfanylpropan-1-one
CID 11727777
3-(4-Methoxyphenyl)-1-(4-methoxyphenyl)-3-phenylsulphanylpropan-1-one
CID 53494870
9,10-Anthracenedione, 1,5-bis[[(4-methoxyphenyl)methyl]thio]-
CID 11049516
3-Phenyl-1-(4-methoxyphenyl)-3-phenylsulphanylpropan-1-one
CID 56672127
1,3-Bis(4-methoxyphenyl)-3-(4-methylphenyl)sulfanylpropan-1-one
CID 24764197
3-(4-Methoxyphenyl)-3-(4-methylphenyl)sulfanyl-1-phenylpropan-1-one
CID 56668645
1-[2-[4-(4-Methoxyphenyl)phenyl]sulfonylphenyl]-2-methylsulfonylethanone
CID 145975902
1-[2-[4-(4-Methoxyphenyl)phenyl]sulfanylphenyl]-2-methylsulfonylethanone
CID 145976989
1-(4-Methoxyphenyl)-2-[(4-methylphenyl)sulfanyl]ethanone
CID 2191699
1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfanyl]-1-propanone
CID 1489788

Frequently Asked Questions

What is the IUPAC name of [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone (CID 139748104) is [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Sc3ccc(-c4cc(F)ccc4Sc4ccc(F)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone?
The InChIKey is MLLZJBZFMJQGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F2O2S2/c1-36-26-11-2-22(3-12-26)32(35)23-6-15-28(16-7-23)37-27-13-4-21(5-14-27)30-20-25(34)10-19-31(30)38-29-17-8-24(33)9-18-29/h2-20H,1H3.
What are the key properties of [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone?
[4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone has a molecular weight of 540.66 g/mol, XLogP of 9.17, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[5-fluoro-2-(4-fluorophenyl)sulfanylphenyl]phenyl]sulfanylphenyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 139748104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).