About 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene
1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene (PubChem CID 159106915) has the molecular formula C58H46
and a molecular weight of 743.01 g/mol. Its IUPAC name is 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene.
Molecular Properties
| Compound Name | 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene |
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| PubChem CID | 159106915 |
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| Molecular Formula | C58H46 |
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| Molecular Weight | 743.01 g/mol |
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| Exact Mass | 742.36 |
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| IUPAC Name | 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene |
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| SMILES | Cc1ccccc1/C(=C/c1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3/C=C(\c3ccccc3)c3ccccc3C)cc2)cc1)c1ccccc1 |
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| InChI | InChI=1S/C58H46/c1-43-17-9-15-27-55(43)57(51-21-5-3-6-22-51)41-53-25-13-11-19-47(53)35-29-45-31-37-49(38-32-45)50-39-33-46(34-40-50)30-36-48-20-12-14-26-54(48)42-58(52-23-7-4-8-24-52)56-28-16-10-18-44(56)2/h3-42H,1-2H3/b35-29?,36-30?,57-41+,58-42+ |
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| InChIKey | KDZQCNHIDOKGIA-MEWKVQAJSA-N |
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| XLogP | 15.49 |
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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 | 11 |
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| Heavy Atoms | 58 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 743.01 |
| LogP ≤ 5 | 15.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Analyze 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene?
The IUPAC name of 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene (CID 159106915) is 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene.
What is the SMILES notation for 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene?
The canonical SMILES for 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene is Cc1ccccc1/C(=C/c1ccccc1C=Cc1ccc(-c2ccc(C=Cc3ccccc3/C=C(\c3ccccc3)c3ccccc3C)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene?
The InChIKey is KDZQCNHIDOKGIA-MEWKVQAJSA-N. The full InChI is InChI=1S/C58H46/c1-43-17-9-15-27-55(43)57(51-21-5-3-6-22-51)41-53-25-13-11-19-47(53)35-29-45-31-37-49(38-32-45)50-39-33-46(34-40-50)30-36-48-20-12-14-26-54(48)42-58(52-23-7-4-8-24-52)56-28-16-10-18-44(56)2/h3-42H,1-2H3/b35-29?,36-30?,57-41+,58-42+.
What are the key properties of 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene?
1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene has a molecular weight of 743.01 g/mol, XLogP of 15.49, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-2-[2-[2-[4-[4-[2-[2-[(E)-2-(2-methylphenyl)-2-phenylethenyl]phenyl]ethenyl]phenyl]phenyl]ethenyl]phenyl]-1-phenylethenyl]benzene is sourced from PubChem (CID 159106915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).