[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone

C32H21ClF2OS2 — CID 163687570

IUPAC[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone
SMILESCc1ccc(F)cc1-c1cc(F)ccc1Sc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C32H21ClF2OS2/c1-20-7-9-23(34)18-27(20)28-19-24(35)10-16-30(28)37-25-11-13-26(14-12-25)38-31-15-8-22(17-29(31)33)32(36)21-5-3-2-4-6-21/h2-19H,1H3
InChIKeyJQDZEUJSAOIYBU-UHFFFAOYSA-N
MW559.10 g/mol
LogP10.13
Rot. Bonds7

About [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone

[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone (PubChem CID 163687570) has the molecular formula C32H21ClF2OS2 and a molecular weight of 559.10 g/mol. Its IUPAC name is [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone
PubChem CID163687570
Molecular FormulaC32H21ClF2OS2
Molecular Weight559.10 g/mol
Exact Mass558.07
IUPAC Name[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone
SMILESCc1ccc(F)cc1-c1cc(F)ccc1Sc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C32H21ClF2OS2/c1-20-7-9-23(34)18-27(20)28-19-24(35)10-16-30(28)37-25-11-13-26(14-12-25)38-31-15-8-22(17-29(31)33)32(36)21-5-3-2-4-6-21/h2-19H,1H3
InChIKeyJQDZEUJSAOIYBU-UHFFFAOYSA-N
XLogP10.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.10
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;hexafluoroantimony(1-)
CID 16710497
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
CID 172867106
[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone
CID 145162699
[4-[2-chloro-4-(4-methylbenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 22619549
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium hexafluorophosphate
CID 22619594
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
[[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenyl-λ4-sulfanyl] perchlorate
CID 140632972
3-chloro-4-(4-ethylphenyl)sulfanylbenzoic acid
CID 91878865
[2-(4-fluorophenyl)sulfanylphenyl]-phenylmethanone
CID 157369619
(2-methyl-4-phenylsulfanylphenyl)-phenylmethanone
CID 141421522

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone?
The IUPAC name of [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone (CID 163687570) is [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone.
What is the SMILES notation for [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone?
The canonical SMILES for [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone is Cc1ccc(F)cc1-c1cc(F)ccc1Sc1ccc(Sc2ccc(C(=O)c3ccccc3)cc2Cl)cc1.
What is the InChIKey of [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone?
The InChIKey is JQDZEUJSAOIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21ClF2OS2/c1-20-7-9-23(34)18-27(20)28-19-24(35)10-16-30(28)37-25-11-13-26(14-12-25)38-31-15-8-22(17-29(31)33)32(36)21-5-3-2-4-6-21/h2-19H,1H3.
What are the key properties of [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone?
[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone has a molecular weight of 559.10 g/mol, XLogP of 10.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone is sourced from PubChem (CID 163687570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).