1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene

C28H26O2S — CID 141051968

IUPAC1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(C)c2S(=O)(=O)c2c(C)cccc2-c2cccc(C)c2)c1
InChIInChI=1S/C28H26O2S/c1-19-9-5-13-23(17-19)25-15-7-11-21(3)27(25)31(29,30)28-22(4)12-8-16-26(28)24-14-6-10-20(2)18-24/h5-18H,1-4H3
InChIKeyAMFGLGAXDGRUNV-UHFFFAOYSA-N
MW426.58 g/mol
LogP7.09
Rot. Bonds4

About 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene

1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene (PubChem CID 141051968) has the molecular formula C28H26O2S and a molecular weight of 426.58 g/mol. Its IUPAC name is 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene
PubChem CID141051968
Molecular FormulaC28H26O2S
Molecular Weight426.58 g/mol
Exact Mass426.17
IUPAC Name1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene
SMILESCc1cccc(-c2cccc(C)c2S(=O)(=O)c2c(C)cccc2-c2cccc(C)c2)c1
InChIInChI=1S/C28H26O2S/c1-19-9-5-13-23(17-19)25-15-7-11-21(3)27(25)31(29,30)28-22(4)12-8-16-26(28)24-14-6-10-20(2)18-24/h5-18H,1-4H3
InChIKeyAMFGLGAXDGRUNV-UHFFFAOYSA-N
XLogP7.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.58
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-methyl-3-(3-methylphenyl)benzene
CID 141199898
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
CID 25054148
2-methyl-6-phenylbenzenesulfonamide
CID 118598398
2-methyl-6-phenylbenzenesulfonic acid
CID 23031918
2-iodo-1,3-bis(3-methylphenyl)benzene
CID 170072024
2-bromo-1,3-bis(3-methylphenyl)benzene
CID 3691341
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
2,3-bis(3-methylphenyl)fluoren-9-one
CID 102493573
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
2-(3-methylphenyl)phenol
CID 11206198
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene?
The IUPAC name of 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene (CID 141051968) is 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene.
What is the SMILES notation for 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene?
The canonical SMILES for 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene is Cc1cccc(-c2cccc(C)c2S(=O)(=O)c2c(C)cccc2-c2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene?
The InChIKey is AMFGLGAXDGRUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2S/c1-19-9-5-13-23(17-19)25-15-7-11-21(3)27(25)31(29,30)28-22(4)12-8-16-26(28)24-14-6-10-20(2)18-24/h5-18H,1-4H3.
What are the key properties of 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene?
1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene has a molecular weight of 426.58 g/mol, XLogP of 7.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[2-methyl-6-(3-methylphenyl)phenyl]sulfonyl-3-(3-methylphenyl)benzene is sourced from PubChem (CID 141051968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).