bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide

C125H114F3NO10S — CID 162229663

IUPACbis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)cc2)c(C)c1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc2ccc(C)cc2c1
InChIInChI=1S/C29H28O2.C28H23F3O2.C26H22O4S.C15H15NO.C15H14O.C12H12/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-18-4-14-26(20(3)16-18)32-23-10-6-21(7-11-23)22-8-12-24(13-9-22)33-27-15-5-19(2)17-25(27)28(29,30)31;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-9-3-5-11-6-4-10(2)8-12(11)7-9/h5-20H,1-4H3;4-17H,1-3H3;3-18H,1-2H3;3-10H,1-2H3,(H,16,17);3-10H,1-2H3;3-8H,1-2H3
InChIKeyZVGAPKMFKIUKEH-UHFFFAOYSA-N
MW1879.34 g/mol
LogP34.36
Rot. Bonds21

About bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide

bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide (PubChem CID 162229663) has the molecular formula C125H114F3NO10S and a molecular weight of 1879.34 g/mol. Its IUPAC name is bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Namebis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide
PubChem CID162229663
Molecular FormulaC125H114F3NO10S
Molecular Weight1879.34 g/mol
Exact Mass1877.81
IUPAC Namebis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)cc2)c(C)c1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc2ccc(C)cc2c1
InChIInChI=1S/C29H28O2.C28H23F3O2.C26H22O4S.C15H15NO.C15H14O.C12H12/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-18-4-14-26(20(3)16-18)32-23-10-6-21(7-11-23)22-8-12-24(13-9-22)33-27-15-5-19(2)17-25(27)28(29,30)31;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-9-3-5-11-6-4-10(2)8-12(11)7-9/h5-20H,1-4H3;4-17H,1-3H3;3-18H,1-2H3;3-10H,1-2H3,(H,16,17);3-10H,1-2H3;3-8H,1-2H3
InChIKeyZVGAPKMFKIUKEH-UHFFFAOYSA-N
XLogP34.36
TPSA135.69 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms140
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001879.34
LogP ≤ 534.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide (CID 162229663) is bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide is Cc1ccc(C(=O)c2ccc(C)cc2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C)cc4C(F)(F)F)cc3)cc2)c(C)c1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc2ccc(C)cc2c1.
What is the InChIKey of bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is ZVGAPKMFKIUKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2.C28H23F3O2.C26H22O4S.C15H15NO.C15H14O.C12H12/c1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-18-4-14-26(20(3)16-18)32-23-10-6-21(7-11-23)22-8-12-24(13-9-22)33-27-15-5-19(2)17-25(27)28(29,30)31;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15(16)14-9-5-12(2)6-10-14;1-9-3-5-11-6-4-10(2)8-12(11)7-9/h5-20H,1-4H3;4-17H,1-3H3;3-18H,1-2H3;3-10H,1-2H3,(H,16,17);3-10H,1-2H3;3-8H,1-2H3.
What are the key properties of bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide?
bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 1879.34 g/mol, XLogP of 34.36, 21 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenyl)methanone;2,4-dimethyl-1-[4-[4-[4-methyl-2-(trifluoromethyl)phenoxy]phenyl]phenoxy]benzene;2,7-dimethylnaphthalene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;4-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 162229663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).