4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene

C159H154 — CID 164953456

About 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene

4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene (PubChem CID 164953456) has the molecular formula C159H154 and a molecular weight of 2064.98 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene.

Molecular Properties

• Compound Name: 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene
• PubChem CID: 164953456
• Molecular Formula: C159H154
• Molecular Weight: 2064.98 g/mol
• Exact Mass: 2063.21
• IUPAC Name: 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene
• SMILES: Cc1cc(C)c(C)c(Cc2cc(C)cc(C)c2C)c1.Cc1cc2c3cc(C)c(C)cc3c3c4ccccc4c4ccccc4c3c2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Cc2cccc(C)c2C)cc1C.Cc1ccc2c(c1C)c1c(C)c(C)ccc1c1c3ccccc3c3ccccc3c21.Cc1ccc2c(c1C)c1ccccc1c1c3ccc(C)c(C)c3c3ccccc3c21
• InChI: InChI=1S/3C30H24.C19H24.2C17H20.C16H18/c1-17-13-25-26-14-18(2)20(4)16-28(26)30-24-12-8-6-10-22(24)21-9-5-7-11-23(21)29(30)27(25)15-19(17)3;1-17-13-15-25-27(19(17)3)21-9-5-7-11-23(21)30-26-16-14-18(2)20(4)28(26)22-10-6-8-12-24(22)29(25)30;1-17-13-15-25-27(19(17)3)28-20(4)18(2)14-16-26(28)30-24-12-8-6-10-22(24)21-9-5-7-11-23(21)29(25)30;1-12-7-14(3)16(5)18(9-12)11-19-10-13(2)8-15(4)17(19)6;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-12-8-9-16(10-14(12)3)11-17-7-5-6-13(2)15(17)4;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h3*5-16H,1-4H3;7-10H,11H2,1-6H3;2*5-10H,11H2,1-4H3;5-10H,1-4H3
• InChIKey: AVOJSQBOOUVUPU-UHFFFAOYSA-N
• XLogP: 44.80
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2064.98
LogP ≤ 5	44.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene?

The IUPAC name of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene (CID 164953456) is 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene.

What is the SMILES notation for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene?

The canonical SMILES for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene is Cc1cc(C)c(C)c(Cc2cc(C)cc(C)c2C)c1.Cc1cc2c3cc(C)c(C)cc3c3c4ccccc4c4ccccc4c3c2cc1C.Cc1ccc(-c2ccc(C)c(C)c2)cc1C.Cc1ccc(Cc2ccc(C)c(C)c2)cc1C.Cc1ccc(Cc2cccc(C)c2C)cc1C.Cc1ccc2c(c1C)c1c(C)c(C)ccc1c1c3ccccc3c3ccccc3c21.Cc1ccc2c(c1C)c1ccccc1c1c3ccc(C)c(C)c3c3ccccc3c21.

What is the InChIKey of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene?

The InChIKey is AVOJSQBOOUVUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H24.C19H24.2C17H20.C16H18/c1-17-13-25-26-14-18(2)20(4)16-28(26)30-24-12-8-6-10-22(24)21-9-5-7-11-23(21)29(30)27(25)15-19(17)3;1-17-13-15-25-27(19(17)3)21-9-5-7-11-23(21)30-26-16-14-18(2)20(4)28(26)22-10-6-8-12-24(22)29(25)30;1-17-13-15-25-27(19(17)3)28-20(4)18(2)14-16-26(28)30-24-12-8-6-10-22(24)21-9-5-7-11-23(21)29(25)30;1-12-7-14(3)16(5)18(9-12)11-19-10-13(2)8-15(4)17(19)6;1-12-5-7-16(9-14(12)3)11-17-8-6-13(2)15(4)10-17;1-12-8-9-16(10-14(12)3)11-17-7-5-6-13(2)15(17)4;1-11-5-7-15(9-13(11)3)16-8-6-12(2)14(4)10-16/h3*5-16H,1-4H3;7-10H,11H2,1-6H3;2*5-10H,11H2,1-4H3;5-10H,1-4H3.

What are the key properties of 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene?

4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene has a molecular weight of 2064.98 g/mol, XLogP of 44.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1-[(3,4-dimethylphenyl)methyl]-2,3-dimethylbenzene;4-[(3,4-dimethylphenyl)methyl]-1,2-dimethylbenzene;4,5,10,11-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23,25-tridecaene;5,6,9,10-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8(13),9,11,15,17,19,21,23,25-tridecaene;5,6,18,19-tetramethylhexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene;1,2,5-trimethyl-3-[(2,3,5-trimethylphenyl)methyl]benzene is sourced from PubChem (CID 164953456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).