[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone

C32H25ClOS2 — CID 145162699

IUPAC[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone
SMILESCS(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C32H25ClOS2/c1-36(27-13-7-3-8-14-27,28-15-9-4-10-16-28)29-20-18-26(19-21-29)35-31-22-17-25(23-30(31)33)32(34)24-11-5-2-6-12-24/h2-23H,1H3
InChIKeyLVEUALFIZQQRBL-UHFFFAOYSA-N
MW525.14 g/mol
LogP9.63
Rot. Bonds7

About [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone

[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone (PubChem CID 145162699) has the molecular formula C32H25ClOS2 and a molecular weight of 525.14 g/mol. Its IUPAC name is [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone
PubChem CID145162699
Molecular FormulaC32H25ClOS2
Molecular Weight525.14 g/mol
Exact Mass524.10
IUPAC Name[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone
SMILESCS(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C32H25ClOS2/c1-36(27-13-7-3-8-14-27,28-15-9-4-10-16-28)29-20-18-26(19-21-29)35-31-22-17-25(23-30(31)33)32(34)24-11-5-2-6-12-24/h2-23H,1H3
InChIKeyLVEUALFIZQQRBL-UHFFFAOYSA-N
XLogP9.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.14
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-4-(4-phenylsulfanylphenyl)sulfanylphenyl]-phenylmethanone
CID 142305551
[[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenyl-λ4-sulfanyl] perchlorate
CID 140632972
[3-chloro-4-[4-(4-fluorophenyl)sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 71231895
[4-(4-benzoyl-2-chlorophenyl)sulfanylphenyl]-diphenylsulfanium;pentafluoro-λ5-stibane;fluoride
CID 172867106
1-[3-chloro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanone
CID 63237959
[3-chloro-4-[4-[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]sulfanylphenyl]sulfanylphenyl]-phenylmethanone
CID 163687570
[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
3-chloro-4-(4-ethylphenyl)sulfanylbenzoic acid
CID 91878865
phenyl-[4-(trimethyl-λ4-sulfanyl)phenyl]methanone
CID 126595551
[4-[2-chloro-4-(4-methylbenzoyl)phenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium
CID 22619549
[4-(3-chlorophenyl)sulfanylphenyl]-phenylmethanone
CID 70168814

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone?
The IUPAC name of [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone (CID 145162699) is [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone.
What is the SMILES notation for [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone?
The canonical SMILES for [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone is CS(c1ccccc1)(c1ccccc1)c1ccc(Sc2ccc(C(=O)c3ccccc3)cc2Cl)cc1.
What is the InChIKey of [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone?
The InChIKey is LVEUALFIZQQRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClOS2/c1-36(27-13-7-3-8-14-27,28-15-9-4-10-16-28)29-20-18-26(19-21-29)35-31-22-17-25(23-30(31)33)32(34)24-11-5-2-6-12-24/h2-23H,1H3.
What are the key properties of [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone?
[3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone has a molecular weight of 525.14 g/mol, XLogP of 9.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[4-[methyl(diphenyl)-λ4-sulfanyl]phenyl]sulfanylphenyl]-phenylmethanone is sourced from PubChem (CID 145162699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).