C59H44Si — CID 59024575
trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane (PubChem CID 59024575) has the molecular formula C59H44Si and a molecular weight of 781.09 g/mol. Its IUPAC name is trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane.
| Compound Name | trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane |
|---|---|
| PubChem CID | 59024575 |
| Molecular Formula | C59H44Si |
| Molecular Weight | 781.09 g/mol |
| Exact Mass | 780.32 |
| IUPAC Name | trimethyl-[4-[10-[4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]anthracen-9-yl]phenyl]silane |
| SMILES | C[Si](C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5cc(-c6c7ccccc7c(-c7ccccc7)c7ccccc67)ccc5c4)cc3)c3ccccc23)cc1 |
| InChI | InChI=1S/C59H44Si/c1-60(2,3)47-35-33-42(34-36-47)58-50-19-9-7-17-48(50)57(49-18-8-10-20-51(49)58)41-27-25-39(26-28-41)43-29-30-45-38-46(32-31-44(45)37-43)59-54-23-13-11-21-52(54)56(40-15-5-4-6-16-40)53-22-12-14-24-55(53)59/h4-38H,1-3H3 |
| InChIKey | VXPOTFZHFOLZPK-UHFFFAOYSA-N |
| XLogP | 16.33 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 6 |
| Heavy Atoms | 60 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 781.09 |
| LogP ≤ 5 | 16.33 |
| 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'} |
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