[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone

C38H26O6S — CID 175364339

IUPAC[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(=O)c5ccccc5)c4)cc3)cc2)c1
InChIInChI=1S/C38H26O6S/c39-37(27-9-3-1-4-10-27)29-13-7-15-33(25-29)43-31-17-21-35(22-18-31)45(41,42)36-23-19-32(20-24-36)44-34-16-8-14-30(26-34)38(40)28-11-5-2-6-12-28/h1-26H
InChIKeyFTUJXIAWJHASDM-UHFFFAOYSA-N
MW610.69 g/mol
LogP8.57
Rot. Bonds10

About [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone

[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone (PubChem CID 175364339) has the molecular formula C38H26O6S and a molecular weight of 610.69 g/mol. Its IUPAC name is [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
PubChem CID175364339
Molecular FormulaC38H26O6S
Molecular Weight610.69 g/mol
Exact Mass610.15
IUPAC Name[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(=O)c5ccccc5)c4)cc3)cc2)c1
InChIInChI=1S/C38H26O6S/c39-37(27-9-3-1-4-10-27)29-13-7-15-33(25-29)43-31-17-21-35(22-18-31)45(41,42)36-23-19-32(20-24-36)44-34-16-8-14-30(26-34)38(40)28-11-5-2-6-12-28/h1-26H
InChIKeyFTUJXIAWJHASDM-UHFFFAOYSA-N
XLogP8.57
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.69
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089
3-(4-ethylsulfonylphenoxy)benzoic acid
CID 61395541
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[4-(4-benzylphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone
CID 58021566
3-[4-[4-(3-sulfanylphenoxy)phenyl]sulfonylphenoxy]benzenethiol
CID 170780586
4-[3-(benzenesulfonyl)phenoxy]aniline
CID 175222333
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
[3-[(3-phenoxyphenyl)methylperoxymethyl]phenyl]-phenylmethanone
CID 57045686
tetrakis(bis(3,4-dimethylphenyl)methanone);tetrakis(4-(3,4-dimethylphenoxy)-1,2-dimethylbenzene);tris(4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene)
CID 157174733

Frequently Asked Questions

What is the IUPAC name of [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone?
The IUPAC name of [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone (CID 175364339) is [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone?
The canonical SMILES for [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(C(=O)c5ccccc5)c4)cc3)cc2)c1.
What is the InChIKey of [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone?
The InChIKey is FTUJXIAWJHASDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O6S/c39-37(27-9-3-1-4-10-27)29-13-7-15-33(25-29)43-31-17-21-35(22-18-31)45(41,42)36-23-19-32(20-24-36)44-34-16-8-14-30(26-34)38(40)28-11-5-2-6-12-28/h1-26H.
What are the key properties of [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone?
[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone has a molecular weight of 610.69 g/mol, XLogP of 8.57, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 175364339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).