C90H66Si2 — CID 20724631
triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane (PubChem CID 20724631) has the molecular formula C90H66Si2 and a molecular weight of 1203.69 g/mol. Its IUPAC name is triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane.
| Compound Name | triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane |
|---|---|
| PubChem CID | 20724631 |
| Molecular Formula | C90H66Si2 |
| Molecular Weight | 1203.69 g/mol |
| Exact Mass | 1202.47 |
| IUPAC Name | triphenyl-[4-[(Z)-2-phenyl-2-[4-[10-[4-[(E)-1-phenyl-2-(4-triphenylsilylphenyl)ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]phenyl]silane |
| SMILES | C(=C(/c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(/C(=C/c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)c4ccccc4)cc3)c3ccccc23)cc1)\c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C90H66Si2/c1-9-29-69(30-10-1)87(65-67-49-61-81(62-50-67)91(75-33-13-3-14-34-75,76-35-15-4-16-36-76)77-37-17-5-18-38-77)71-53-57-73(58-54-71)89-83-45-25-27-47-85(83)90(86-48-28-26-46-84(86)89)74-59-55-72(56-60-74)88(70-31-11-2-12-32-70)66-68-51-63-82(64-52-68)92(78-39-19-6-20-40-78,79-41-21-7-22-42-79)80-43-23-8-24-44-80/h1-66H/b87-65-,88-66+ |
| InChIKey | YGYAYPFCQSIPPK-KEEAWWRRSA-N |
| XLogP | 17.26 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 16 |
| Heavy Atoms | 92 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1203.69 |
| LogP ≤ 5 | 17.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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