5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene

C180H196F6N2O11S3Si — CID 160817789

IUPAC5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
SMILESCCc1cc(Cc2cc(CC)c(C)c(CC)c2)cc(CC)c1C.Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C2CCC(c3ccc(C)cc3)CC2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(O[Si](C)(C)Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(SSc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C23H32.C20H24.C18H18O4.C16H12F6O.C16H20O2Si.C16H18O2.C15H15NO.C14H15N.C14H14O.C14H14S2.C14H14S/c1-7-20-12-18(13-21(8-2)16(20)5)11-19-14-22(9-3)17(6)23(10-4)15-19;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17(19)21-11-12-22-18(20)16-9-5-14(2)6-10-16;1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22;1-13-5-9-15(10-6-13)17-19(3,4)18-16-11-7-14(2)8-12-16;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h12-15H,7-11H2,1-6H3;3-10,19-20H,11-14H2,1-2H3;3-10H,11-12H2,1-2H3;3-8H,1-2H3;5-12H,1-4H3;3-10H,11-12H2,1-2H3;3-10H,1-2H3,(H,16,17);3-10,15H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3
InChIKeySFDAZPBKZBMNDS-UHFFFAOYSA-N
MW2801.83 g/mol
LogP50.82
Rot. Bonds35

About 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene

5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene (PubChem CID 160817789) has the molecular formula C180H196F6N2O11S3Si and a molecular weight of 2801.83 g/mol. Its IUPAC name is 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
PubChem CID160817789
Molecular FormulaC180H196F6N2O11S3Si
Molecular Weight2801.83 g/mol
Exact Mass2799.37
IUPAC Name5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene
SMILESCCc1cc(Cc2cc(CC)c(C)c(CC)c2)cc(CC)c1C.Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C2CCC(c3ccc(C)cc3)CC2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(O[Si](C)(C)Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(SSc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1
InChIInChI=1S/C23H32.C20H24.C18H18O4.C16H12F6O.C16H20O2Si.C16H18O2.C15H15NO.C14H15N.C14H14O.C14H14S2.C14H14S/c1-7-20-12-18(13-21(8-2)16(20)5)11-19-14-22(9-3)17(6)23(10-4)15-19;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17(19)21-11-12-22-18(20)16-9-5-14(2)6-10-16;1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22;1-13-5-9-15(10-6-13)17-19(3,4)18-16-11-7-14(2)8-12-16;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h12-15H,7-11H2,1-6H3;3-10,19-20H,11-14H2,1-2H3;3-10H,11-12H2,1-2H3;3-8H,1-2H3;5-12H,1-4H3;3-10H,11-12H2,1-2H3;3-10H,1-2H3,(H,16,17);3-10,15H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3
InChIKeySFDAZPBKZBMNDS-UHFFFAOYSA-N
XLogP50.82
TPSA149.11 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds35
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002801.83
LogP ≤ 550.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
The IUPAC name of 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene (CID 160817789) is 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene is CCc1cc(Cc2cc(CC)c(C)c(CC)c2)cc(CC)c1C.Cc1ccc(C(=O)OCCOC(=O)c2ccc(C)cc2)cc1.Cc1ccc(C2CCC(c3ccc(C)cc3)CC2)cc1.Cc1ccc(NC(=O)c2ccc(C)cc2)cc1.Cc1ccc(Nc2ccc(C)cc2)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(O[Si](C)(C)Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C)cc2C(F)(F)F)c(C(F)(F)F)c1.Cc1ccc(SSc2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.
What is the InChIKey of 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
The InChIKey is SFDAZPBKZBMNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32.C20H24.C18H18O4.C16H12F6O.C16H20O2Si.C16H18O2.C15H15NO.C14H15N.C14H14O.C14H14S2.C14H14S/c1-7-20-12-18(13-21(8-2)16(20)5)11-19-14-22(9-3)17(6)23(10-4)15-19;1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;1-13-3-7-15(8-4-13)17(19)21-11-12-22-18(20)16-9-5-14(2)6-10-16;1-9-3-5-13(11(7-9)15(17,18)19)23-14-6-4-10(2)8-12(14)16(20,21)22;1-13-5-9-15(10-6-13)17-19(3,4)18-16-11-7-14(2)8-12-16;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;1-11-3-7-13(8-4-11)15(17)16-14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-16-14-9-5-12(2)6-10-14;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14/h12-15H,7-11H2,1-6H3;3-10,19-20H,11-14H2,1-2H3;3-10H,11-12H2,1-2H3;3-8H,1-2H3;5-12H,1-4H3;3-10H,11-12H2,1-2H3;3-10H,1-2H3,(H,16,17);3-10,15H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3.
What are the key properties of 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene?
5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene has a molecular weight of 2801.83 g/mol, XLogP of 50.82, 35 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-diethyl-4-methylphenyl)methyl]-1,3-diethyl-2-methylbenzene;dimethyl-bis(4-methylphenoxy)silane;2-(4-methylbenzoyl)oxyethyl 4-methylbenzoate;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)benzamide;1-methyl-4-[4-(4-methylphenyl)cyclohexyl]benzene;1-methyl-4-[(4-methylphenyl)disulfanyl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 160817789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).