1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene

C24H16Cl2S — CID 54176640

IUPAC1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene
SMILESClc1cccc(-c2ccccc2Sc2ccccc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H16Cl2S/c25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)27-24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-16H
InChIKeyOYVWKQGRCVZLEW-UHFFFAOYSA-N
MW407.37 g/mol
LogP8.48
Rot. Bonds4

About 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene

1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene (PubChem CID 54176640) has the molecular formula C24H16Cl2S and a molecular weight of 407.37 g/mol. Its IUPAC name is 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene
PubChem CID54176640
Molecular FormulaC24H16Cl2S
Molecular Weight407.37 g/mol
Exact Mass406.03
IUPAC Name1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene
SMILESClc1cccc(-c2ccccc2Sc2ccccc2-c2cccc(Cl)c2)c1
InChIInChI=1S/C24H16Cl2S/c25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)27-24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-16H
InChIKeyOYVWKQGRCVZLEW-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.37
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene?
The IUPAC name of 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene (CID 54176640) is 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene.
What is the SMILES notation for 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene?
The canonical SMILES for 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene is Clc1cccc(-c2ccccc2Sc2ccccc2-c2cccc(Cl)c2)c1.
What is the InChIKey of 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene?
The InChIKey is OYVWKQGRCVZLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2S/c25-19-9-5-7-17(15-19)21-11-1-3-13-23(21)27-24-14-4-2-12-22(24)18-8-6-10-20(26)16-18/h1-16H.
What are the key properties of 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene?
1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene has a molecular weight of 407.37 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[2-[2-(3-chlorophenyl)phenyl]sulfanylphenyl]benzene is sourced from PubChem (CID 54176640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).