About 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene (PubChem CID 59171641) has the molecular formula C25H20
and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene.
Molecular Properties
| Compound Name | 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene |
| PubChem CID | 59171641 |
| Molecular Formula | C25H20 |
| Molecular Weight | 320.44 g/mol |
| Exact Mass | 320.16 |
| IUPAC Name | 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene |
| SMILES | Cc1ccc(-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1 |
| InChI | InChI=1S/C25H20/c1-19-16-17-23(21-12-6-3-7-13-21)25(18-19)24-15-9-8-14-22(24)20-10-4-2-5-11-20/h2-18H,1H3 |
| InChIKey | VWRGNFWARMUKBU-UHFFFAOYSA-N |
| XLogP | 7.00 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 25 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 320.44 |
| LogP ≤ 5 | 7.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
The IUPAC name of 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene (CID 59171641) is 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene is Cc1ccc(-c2ccccc2)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
The InChIKey is VWRGNFWARMUKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-19-16-17-23(21-12-6-3-7-13-21)25(18-19)24-15-9-8-14-22(24)20-10-4-2-5-11-20/h2-18H,1H3.
What are the key properties of 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene?
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene has a molecular weight of 320.44 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-phenyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 59171641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).