About 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene
1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene (PubChem CID 90955279) has the molecular formula C57H44
and a molecular weight of 728.98 g/mol. Its IUPAC name is 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene.
Molecular Properties
| Compound Name | 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene |
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| PubChem CID | 90955279 |
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| Molecular Formula | C57H44 |
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| Molecular Weight | 728.98 g/mol |
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| Exact Mass | 728.34 |
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| IUPAC Name | 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene |
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| SMILES | Cc1ccc(-c2c(C)cccc2-c2cc(-c3cccc(-c4ccccc4)c3)c(-c3ccccc3-c3cccc(-c4ccccc4)c3)cc2-c2ccccc2C)cc1 |
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| InChI | InChI=1S/C57H44/c1-39-31-33-44(34-32-39)57-41(3)18-14-30-52(57)56-37-53(48-26-16-24-46(36-48)43-21-8-5-9-22-43)55(38-54(56)49-27-11-10-17-40(49)2)51-29-13-12-28-50(51)47-25-15-23-45(35-47)42-19-6-4-7-20-42/h4-38H,1-3H3 |
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| InChIKey | COLGDZUSEDWQNV-UHFFFAOYSA-N |
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| XLogP | 15.95 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 57 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 728.98 |
| LogP ≤ 5 | 15.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene?
The IUPAC name of 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene (CID 90955279) is 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene is Cc1ccc(-c2c(C)cccc2-c2cc(-c3cccc(-c4ccccc4)c3)c(-c3ccccc3-c3cccc(-c4ccccc4)c3)cc2-c2ccccc2C)cc1.
What is the InChIKey of 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene?
The InChIKey is COLGDZUSEDWQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44/c1-39-31-33-44(34-32-39)57-41(3)18-14-30-52(57)56-37-53(48-26-16-24-46(36-48)43-21-8-5-9-22-43)55(38-54(56)49-27-11-10-17-40(49)2)51-29-13-12-28-50(51)47-25-15-23-45(35-47)42-19-6-4-7-20-42/h4-38H,1-3H3.
What are the key properties of 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene?
1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene has a molecular weight of 728.98 g/mol, XLogP of 15.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(4-methylphenyl)phenyl]-2-(2-methylphenyl)-5-(3-phenylphenyl)-4-[2-(3-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 90955279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).