C71H52N2Si2 — CID 168780527
triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane (PubChem CID 168780527) has the molecular formula C71H52N2Si2 and a molecular weight of 989.38 g/mol. Its IUPAC name is triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane.
| Compound Name | triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane |
|---|---|
| PubChem CID | 168780527 |
| Molecular Formula | C71H52N2Si2 |
| Molecular Weight | 989.38 g/mol |
| Exact Mass | 988.37 |
| IUPAC Name | triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane |
| SMILES | c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c2)cc1 |
| InChI | InChI=1S/C71H52N2Si2/c1-8-26-53(27-9-1)54-46-47-71-67(50-54)66-44-22-23-45-70(66)73(71)57-51-68(55-28-24-42-64(48-55)74(58-30-10-2-11-31-58,59-32-12-3-13-33-59)60-34-14-4-15-35-60)72-69(52-57)56-29-25-43-65(49-56)75(61-36-16-5-17-37-61,62-38-18-6-19-39-62)63-40-20-7-21-41-63/h1-52H |
| InChIKey | GRMDOBLVSKGTJI-UHFFFAOYSA-N |
| XLogP | 11.93 |
| TPSA | 17.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 75 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 989.38 |
| LogP ≤ 5 | 11.93 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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