bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene

C65H74 — CID 158520206

About bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene

bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene (PubChem CID 158520206) has the molecular formula C65H74 and a molecular weight of 855.31 g/mol. Its IUPAC name is bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene.

Molecular Properties

• Compound Name: bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene
• PubChem CID: 158520206
• Molecular Formula: C65H74
• Molecular Weight: 855.31 g/mol
• Exact Mass: 854.58
• IUPAC Name: bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene
• SMILES: Cc1ccc(-c2ccc(C)c(C)c2C)c(C)c1.Cc1ccc(Cc2cc(C)cc(C)c2)cc1.Cc1cccc(Cc2cc(C)cc(C)c2)c1.Cc1cccc(Cc2cc(C)cc(C)c2)c1
• InChI: InChI=1S/C17H20.3C16H18/c1-11-6-8-16(13(3)10-11)17-9-7-12(2)14(4)15(17)5;1-12-4-6-15(7-5-12)11-16-9-13(2)8-14(3)10-16;2*1-12-5-4-6-15(8-12)11-16-9-13(2)7-14(3)10-16/h6-10H,1-5H3;3*4-10H,11H2,1-3H3
• InChIKey: HMCWYOMHYJRRQO-UHFFFAOYSA-N
• XLogP: 17.50
• TPSA: 0.00 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.31
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene?

The IUPAC name of bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene (CID 158520206) is bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene.

What is the SMILES notation for bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene?

The canonical SMILES for bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene is Cc1ccc(-c2ccc(C)c(C)c2C)c(C)c1.Cc1ccc(Cc2cc(C)cc(C)c2)cc1.Cc1cccc(Cc2cc(C)cc(C)c2)c1.Cc1cccc(Cc2cc(C)cc(C)c2)c1.

What is the InChIKey of bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene?

The InChIKey is HMCWYOMHYJRRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20.3C16H18/c1-11-6-8-16(13(3)10-11)17-9-7-12(2)14(4)15(17)5;1-12-4-6-15(7-5-12)11-16-9-13(2)8-14(3)10-16;2*1-12-5-4-6-15(8-12)11-16-9-13(2)7-14(3)10-16/h6-10H,1-5H3;3*4-10H,11H2,1-3H3.

What are the key properties of bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene?

bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene has a molecular weight of 855.31 g/mol, XLogP of 17.50, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-dimethyl-5-[(3-methylphenyl)methyl]benzene);1,3-dimethyl-5-[(4-methylphenyl)methyl]benzene;1-(2,4-dimethylphenyl)-2,3,4-trimethylbenzene is sourced from PubChem (CID 158520206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).