[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone

C25H17ClOS2 — CID 142305551

IUPAC[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Sc2ccc(Sc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C25H17ClOS2/c26-23-17-19(25(27)18-7-3-1-4-8-18)11-16-24(23)29-22-14-12-21(13-15-22)28-20-9-5-2-6-10-20/h1-17H
InChIKeyDQCIXSKMERFFSC-UHFFFAOYSA-N
MW433.00 g/mol
LogP7.87
Rot. Bonds6

About [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone

[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone (PubChem CID 142305551) has the molecular formula C25H17ClOS2 and a molecular weight of 433.00 g/mol. Its IUPAC name is [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
PubChem CID142305551
Molecular FormulaC25H17ClOS2
Molecular Weight433.00 g/mol
Exact Mass432.04
IUPAC Name[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Sc2ccc(Sc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C25H17ClOS2/c26-23-17-19(25(27)18-7-3-1-4-8-18)11-16-24(23)29-22-14-12-21(13-15-22)28-20-9-5-2-6-10-20/h1-17H
InChIKeyDQCIXSKMERFFSC-UHFFFAOYSA-N
XLogP7.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.00
LogP ≤ 57.87
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-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone
CID 145162699
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
CID 172867106
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-chlorophenyl)sulfanium hexafluorophosphate
CID 22619594
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;hexafluoroantimony(1-)
CID 16710497
[[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenyl-λ4-sulfanyl] perchlorate
CID 140632972
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 163687570
phenyl-[4-phenylsulfanyl-3-(trifluoromethyl)phenyl]methanone
CID 135016547
4-(2-chloro-4-hydroxyphenyl)sulfanylbenzoic acid
CID 91879639
3-chloro-4-(4-ethylphenyl)sulfanylbenzoic acid
CID 91878865

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone?
The IUPAC name of [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone (CID 142305551) is [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone.
What is the SMILES notation for [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone?
The canonical SMILES for [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(Sc2ccc(Sc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone?
The InChIKey is DQCIXSKMERFFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClOS2/c26-23-17-19(25(27)18-7-3-1-4-8-18)11-16-24(23)29-22-14-12-21(13-15-22)28-20-9-5-2-6-10-20/h1-17H.
What are the key properties of [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone?
[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone has a molecular weight of 433.00 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone is sourced from PubChem (CID 142305551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).