5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene

C54H60 — CID 144614242

About 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene

5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene (PubChem CID 144614242) has the molecular formula C54H60 and a molecular weight of 709.07 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene.

Molecular Properties

• Compound Name: 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
• PubChem CID: 144614242
• Molecular Formula: C54H60
• Molecular Weight: 709.07 g/mol
• Exact Mass: 708.47
• IUPAC Name: 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene
• SMILES: CC.Cc1cc(C)cc(-c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)c1.Cc1ccccc1.Cc1ccccc1-c1ccc(C(C)C)cc1C
• InChI: InChI=1S/C28H26.C17H20.C7H8.C2H6/c1-17-10-11-23-25(15-17)28(4,5)26-16-24(20-13-18(2)12-19(3)14-20)21-8-6-7-9-22(21)27(23)26;1-12(2)15-9-10-17(14(4)11-15)16-8-6-5-7-13(16)3;1-7-5-3-2-4-6-7;1-2/h6-16H,1-5H3;5-12H,1-4H3;2-6H,1H3;1-2H3
• InChIKey: NXUYKVIEXKIBRT-UHFFFAOYSA-N
• XLogP: 15.85
• TPSA: 0.00 Ų
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.07
LogP ≤ 5	15.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene?

The IUPAC name of 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene (CID 144614242) is 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene.

What is the SMILES notation for 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene?

The canonical SMILES for 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene is CC.Cc1cc(C)cc(-c2cc3c(c4ccccc24)-c2ccc(C)cc2C3(C)C)c1.Cc1ccccc1.Cc1ccccc1-c1ccc(C(C)C)cc1C.

What is the InChIKey of 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene?

The InChIKey is NXUYKVIEXKIBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26.C17H20.C7H8.C2H6/c1-17-10-11-23-25(15-17)28(4,5)26-16-24(20-13-18(2)12-19(3)14-20)21-8-6-7-9-22(21)27(23)26;1-12(2)15-9-10-17(14(4)11-15)16-8-6-5-7-13(16)3;1-7-5-3-2-4-6-7;1-2/h6-16H,1-5H3;5-12H,1-4H3;2-6H,1H3;1-2H3.

What are the key properties of 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene?

5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene has a molecular weight of 709.07 g/mol, XLogP of 15.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethylphenyl)-7,7,9-trimethylbenzo[c]fluorene;ethane;2-methyl-1-(2-methylphenyl)-4-propan-2-ylbenzene;toluene is sourced from PubChem (CID 144614242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).