[4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone

C38H24F2O4S — CID 58958788

IUPAC[4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Sc3cccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C38H24F2O4S/c39-29-12-4-25(5-13-29)37(41)27-8-16-31(17-9-27)43-33-20-22-35(23-21-33)45-36-3-1-2-34(24-36)44-32-18-10-28(11-19-32)38(42)26-6-14-30(40)15-7-26/h1-24H
InChIKeyJGBVZMHTZMCHEC-UHFFFAOYSA-N
MW614.67 g/mol
LogP10.16
Rot. Bonds10

About [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone

[4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone (PubChem CID 58958788) has the molecular formula C38H24F2O4S and a molecular weight of 614.67 g/mol. Its IUPAC name is [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone
PubChem CID58958788
Molecular FormulaC38H24F2O4S
Molecular Weight614.67 g/mol
Exact Mass614.14
IUPAC Name[4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Sc3cccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C38H24F2O4S/c39-29-12-4-25(5-13-29)37(41)27-8-16-31(17-9-27)43-33-20-22-35(23-21-33)45-36-3-1-2-34(24-36)44-32-18-10-28(11-19-32)38(42)26-6-14-30(40)15-7-26/h1-24H
InChIKeyJGBVZMHTZMCHEC-UHFFFAOYSA-N
XLogP10.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.67
LogP ≤ 510.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone (CID 58958788) is [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)c1ccc(Oc2ccc(Sc3cccc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone?
The InChIKey is JGBVZMHTZMCHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F2O4S/c39-29-12-4-25(5-13-29)37(41)27-8-16-31(17-9-27)43-33-20-22-35(23-21-33)45-36-3-1-2-34(24-36)44-32-18-10-28(11-19-32)38(42)26-6-14-30(40)15-7-26/h1-24H.
What are the key properties of [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone?
[4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone has a molecular weight of 614.67 g/mol, XLogP of 10.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[3-[4-(4-fluorobenzoyl)phenoxy]phenyl]sulfanylphenoxy]phenyl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 58958788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).