About 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene
2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene (PubChem CID 59120096) has the molecular formula C58H46O2
and a molecular weight of 775.00 g/mol. Its IUPAC name is 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene.
Molecular Properties
| Compound Name | 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene |
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| PubChem CID | 59120096 |
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| Molecular Formula | C58H46O2 |
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| Molecular Weight | 775.00 g/mol |
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| Exact Mass | 774.35 |
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| IUPAC Name | 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene |
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| SMILES | COc1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(OC)cc4C=C(c4ccccc4)c4ccccc4)cc3)cc2)c(C=C(c2ccccc2)c2ccccc2)c1 |
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| InChI | InChI=1S/C58H46O2/c1-59-55-37-35-47(53(39-55)41-57(49-15-7-3-8-16-49)50-17-9-4-10-18-50)33-27-43-23-29-45(30-24-43)46-31-25-44(26-32-46)28-34-48-36-38-56(60-2)40-54(48)42-58(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-42H,1-2H3 |
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| InChIKey | ZKQUXOQUGWJNDC-UHFFFAOYSA-N |
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| XLogP | 14.89 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 13 |
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| Heavy Atoms | 60 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 775.00 |
| LogP ≤ 5 | 14.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'stilbene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene?
The IUPAC name of 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene (CID 59120096) is 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene.
What is the SMILES notation for 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene?
The canonical SMILES for 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene is COc1ccc(C=Cc2ccc(-c3ccc(C=Cc4ccc(OC)cc4C=C(c4ccccc4)c4ccccc4)cc3)cc2)c(C=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene?
The InChIKey is ZKQUXOQUGWJNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46O2/c1-59-55-37-35-47(53(39-55)41-57(49-15-7-3-8-16-49)50-17-9-4-10-18-50)33-27-43-23-29-45(30-24-43)46-31-25-44(26-32-46)28-34-48-36-38-56(60-2)40-54(48)42-58(51-19-11-5-12-20-51)52-21-13-6-14-22-52/h3-42H,1-2H3.
What are the key properties of 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene?
2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene has a molecular weight of 775.00 g/mol, XLogP of 14.89, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylethenyl)-1-[2-[4-[4-[2-[2-(2,2-diphenylethenyl)-4-methoxyphenyl]ethenyl]phenyl]phenyl]ethenyl]-4-methoxybenzene is sourced from PubChem (CID 59120096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).