1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene

C126H148Br4 — CID 161225729

About 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene

1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene (PubChem CID 161225729) has the molecular formula C126H148Br4 and a molecular weight of 1982.19 g/mol. Its IUPAC name is 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene.

Molecular Properties

• Compound Name: 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene
• PubChem CID: 161225729
• Molecular Formula: C126H148Br4
• Molecular Weight: 1982.19 g/mol
• Exact Mass: 1976.83
• IUPAC Name: 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene
• SMILES: CCc1cc(C)c(C)c(C)c1.Cc1c(C)c(Br)c(-c2c(Br)c(C)c(C)c(C)c2Br)c(Br)c1C.Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)c1C.Cc1cc(C)c(C)c(C)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccccc1
• InChI: InChI=1S/C18H18Br4.C18H22.C16H18.C15H16.C14H14.C11H16.C10H14.C9H12.C8H10.C7H8/c1-7-9(3)15(19)13(16(20)10(7)4)14-17(21)11(5)8(2)12(6)18(14)22;1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-5-11-6-8(2)10(4)9(3)7-11;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h1-6H3;7-10H,1-6H3;5-10H,1-4H3;3-10H,11H2,1-2H3;3-10H,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;2-6H,1H3
• InChIKey: UYCBPQUNCKADHZ-UHFFFAOYSA-N
• XLogP: 38.92
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1982.19
LogP ≤ 5	38.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene?

The IUPAC name of 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene (CID 161225729) is 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene.

What is the SMILES notation for 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene?

The canonical SMILES for 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene is CCc1cc(C)c(C)c(C)c1.Cc1c(C)c(Br)c(-c2c(Br)c(C)c(C)c(C)c2Br)c(Br)c1C.Cc1cc(-c2cc(C)c(C)c(C)c2)cc(C)c1C.Cc1cc(C)c(C)c(C)c1.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cc2ccc(C)cc2)cc1.Cc1ccccc1.

What is the InChIKey of 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene?

The InChIKey is UYCBPQUNCKADHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br4.C18H22.C16H18.C15H16.C14H14.C11H16.C10H14.C9H12.C8H10.C7H8/c1-7-9(3)15(19)13(16(20)10(7)4)14-17(21)11(5)8(2)12(6)18(14)22;1-11-7-17(8-12(2)15(11)5)18-9-13(3)16(6)14(4)10-18;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16;1-12-3-7-14(8-4-12)11-15-9-5-13(2)6-10-15;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-5-11-6-8(2)10(4)9(3)7-11;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-8(2)9(3)6-7;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7/h1-6H3;7-10H,1-6H3;5-10H,1-4H3;3-10H,11H2,1-2H3;3-10H,1-2H3;6-7H,5H2,1-4H3;5-6H,1-4H3;4-6H,1-3H3;3-6H,1-2H3;2-6H,1H3.

What are the key properties of 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene?

1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene has a molecular weight of 1982.19 g/mol, XLogP of 38.92, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dibromo-2-(2,6-dibromo-3,4,5-trimethylphenyl)-4,5,6-trimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;5-ethyl-1,2,3-trimethylbenzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1,2,3,5-tetramethylbenzene;toluene;1,2,4-trimethylbenzene;1,2,3-trimethyl-5-(3,4,5-trimethylphenyl)benzene;1,4-xylene is sourced from PubChem (CID 161225729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).