tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene

C196H216F6N2O7S — CID 158135250

IUPACtris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C30H28N2O2.C19H18F6.C19H24.C17H20.C16H18O2S.2C16H18.3C15H16O.2C9H12/c1-19-5-9-23(10-6-19)29(33)31-27-15-13-25(17-21(27)3)26-14-16-28(22(4)18-26)32-30(34)24-11-7-20(2)8-12-24;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;2*1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;3*1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7/h5-18H,1-4H3,(H,31,33)(H,32,34);5-10H,1-4H3;7-12H,1-6H3;5-10H,11H2,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;3*4-10H,1-3H3;2*4-6H,1-3H3
InChIKeyFTGOTRDGOZITEX-UHFFFAOYSA-N
MW2857.95 g/mol
LogP54.54
Rot. Bonds21

About tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene

tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene (PubChem CID 158135250) has the molecular formula C196H216F6N2O7S and a molecular weight of 2857.95 g/mol. Its IUPAC name is tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nametris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
PubChem CID158135250
Molecular FormulaC196H216F6N2O7S
Molecular Weight2857.95 g/mol
Exact Mass2855.62
IUPAC Nametris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C30H28N2O2.C19H18F6.C19H24.C17H20.C16H18O2S.2C16H18.3C15H16O.2C9H12/c1-19-5-9-23(10-6-19)29(33)31-27-15-13-25(17-21(27)3)26-14-16-28(22(4)18-26)32-30(34)24-11-7-20(2)8-12-24;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;2*1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;3*1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7/h5-18H,1-4H3,(H,31,33)(H,32,34);5-10H,1-4H3;7-12H,1-6H3;5-10H,11H2,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;3*4-10H,1-3H3;2*4-6H,1-3H3
InChIKeyFTGOTRDGOZITEX-UHFFFAOYSA-N
XLogP54.54
TPSA120.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms212
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002857.95
LogP ≤ 554.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene?
The IUPAC name of tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene (CID 158135250) is tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene.
What is the SMILES notation for tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene?
The canonical SMILES for tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)cc4)c(C)c3)cc2C)cc1.Cc1ccc(C(C)(C)c2ccc(C)c(C)c2)cc1C.Cc1ccc(C(c2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1C.Cc1ccc(C)c(C)c1.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(Oc2ccc(C)cc2C)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene?
The InChIKey is FTGOTRDGOZITEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O2.C19H18F6.C19H24.C17H20.C16H18O2S.2C16H18.3C15H16O.2C9H12/c1-19-5-9-23(10-6-19)29(33)31-27-15-13-25(17-21(27)3)26-14-16-28(22(4)18-26)32-30(34)24-11-7-20(2)8-12-24;1-11-5-7-15(9-13(11)3)17(18(20,21)22,19(23,24)25)16-8-6-12(2)14(4)10-16;1-13-7-9-17(11-15(13)3)19(5,6)18-10-8-14(2)16(4)12-18;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-11-5-7-15(9-13(11)3)19(17,18)16-8-6-12(2)14(4)10-16;2*1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;3*1-11-4-7-14(8-5-11)16-15-9-6-12(2)10-13(15)3;1-7-4-8(2)6-9(3)5-7;1-7-4-5-8(2)9(3)6-7/h5-18H,1-4H3,(H,31,33)(H,32,34);5-10H,1-4H3;7-12H,1-6H3;5-10H,11H2,1-4H3;5-10H,1-4H3;2*5-10H,1-4H3;3*4-10H,1-3H3;2*4-6H,1-3H3.
What are the key properties of tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene?
tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene has a molecular weight of 2857.95 g/mol, XLogP of 54.54, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,4-dimethyl-1-(4-methylphenoxy)benzene);bis(4-(3,4-dimethylphenyl)-1,2-dimethylbenzene);4-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,2-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4-[2-(3,4-dimethylphenyl)propan-2-yl]-1,2-dimethylbenzene;4-(3,4-dimethylphenyl)sulfonyl-1,2-dimethylbenzene;4-methyl-N-[2-methyl-4-[3-methyl-4-[(4-methylbenzoyl)amino]phenyl]phenyl]benzamide;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene is sourced from PubChem (CID 158135250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).