2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone

C34H34O8S3 — CID 175161109

IUPAC2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(C(=O)c2ccccc2)S(=O)(=O)S(=O)(=O)S(=O)(=O)C(C(=O)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C34H34O8S3/c1-21-17-23(3)29(24(4)18-21)33(31(35)27-13-9-7-10-14-27)43(37,38)45(41,42)44(39,40)34(32(36)28-15-11-8-12-16-28)30-25(5)19-22(2)20-26(30)6/h7-20,33-34H,1-6H3
InChIKeyZUPAMHWBQKRTRM-UHFFFAOYSA-N
MW666.84 g/mol
LogP6.16
Rot. Bonds10

About 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone

2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone (PubChem CID 175161109) has the molecular formula C34H34O8S3 and a molecular weight of 666.84 g/mol. Its IUPAC name is 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone
PubChem CID175161109
Molecular FormulaC34H34O8S3
Molecular Weight666.84 g/mol
Exact Mass666.14
IUPAC Name2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(C(=O)c2ccccc2)S(=O)(=O)S(=O)(=O)S(=O)(=O)C(C(=O)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C34H34O8S3/c1-21-17-23(3)29(24(4)18-21)33(31(35)27-13-9-7-10-14-27)43(37,38)45(41,42)44(39,40)34(32(36)28-15-11-8-12-16-28)30-25(5)19-22(2)20-26(30)6/h7-20,33-34H,1-6H3
InChIKeyZUPAMHWBQKRTRM-UHFFFAOYSA-N
XLogP6.16
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.84
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

1,3,5-trimethyl-2-(2-oxo-2-phenyl-1-sulfinosulfonylethyl)benzene
CID 175161108
3-oxo-3-phenyl-2-(2,4,6-trimethylphenyl)propane-1-sulfinate
CID 175234671
1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one
CID 162415494
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
2-methyl-1-phenyl-2-(2,4,6-trimethylphenyl)propan-1-one
CID 15629610
ethyl 2-benzamido-2-(2,4,6-trimethylphenyl)acetate
CID 72736950
1,1-diphenyl-N-[1-(2,4,6-trimethylphenyl)ethyl]methanimine
CID 589790
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028
N,N-dimethyl-2-phenyl-2-(2,4,6-trimethylphenyl)acetamide
CID 15050087
2-anilino-2-(2,4,6-trimethylphenyl)acetic acid
CID 60992437

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone?
The IUPAC name of 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone (CID 175161109) is 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone?
The canonical SMILES for 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone is Cc1cc(C)c(C(C(=O)c2ccccc2)S(=O)(=O)S(=O)(=O)S(=O)(=O)C(C(=O)c2ccccc2)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone?
The InChIKey is ZUPAMHWBQKRTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O8S3/c1-21-17-23(3)29(24(4)18-21)33(31(35)27-13-9-7-10-14-27)43(37,38)45(41,42)44(39,40)34(32(36)28-15-11-8-12-16-28)30-25(5)19-22(2)20-26(30)6/h7-20,33-34H,1-6H3.
What are the key properties of 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone?
2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone has a molecular weight of 666.84 g/mol, XLogP of 6.16, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-phenyl-1-(2,4,6-trimethylphenyl)ethyl]sulfonylsulfonylsulfonyl-1-phenyl-2-(2,4,6-trimethylphenyl)ethanone is sourced from PubChem (CID 175161109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).