C218H176N16Pd4Si2 — CID 160774847
2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) (PubChem CID 160774847) has the molecular formula C218H176N16Pd4Si2 and a molecular weight of 3501.77 g/mol. Its IUPAC name is 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)).
| Compound Name | 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) |
|---|---|
| PubChem CID | 160774847 |
| Molecular Formula | C218H176N16Pd4Si2 |
| Molecular Weight | 3501.77 g/mol |
| Exact Mass | 3496.99 |
| IUPAC Name | 2-[2,8-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,7-ditert-butyl-5-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)benzo[b][1]benzosilol-5-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[2,7-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;2-[3,6-ditert-butyl-9-(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)fluoren-9-yl]-9-pyridin-2-yl-1H-carbazol-1-ide;tetrakis(palladium(2+)) |
| SMILES | CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1C2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)-c1cc(C(C)(C)C)ccc1[Si]2(c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1)c1[c-]c2c(cc1)c1ccccc1n2-c1ccccn1.CC(C)(C)c1ccc2c(c1)C(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.CC(C)(C)c1ccc2c(c1)[Si](c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)(c1[c-]c3c(cc1)c1ccccc1n3-c1ccccn1)c1cc(C(C)(C)C)ccc1-2.[Pd+2].[Pd+2].[Pd+2].[Pd+2] |
| InChI | InChI=1S/2C55H44N4.2C54H44N4Si.4Pd/c1-53(2,3)35-23-27-45-43(31-35)44-32-36(54(4,5)6)24-28-46(44)55(45,37-21-25-41-39-15-7-9-17-47(39)58(49(41)33-37)51-19-11-13-29-56-51)38-22-26-42-40-16-8-10-18-48(40)59(50(42)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-25-39-40-26-22-36(54(4,5)6)32-46(40)55(45(39)31-35,37-23-27-43-41-15-7-9-17-47(41)58(49(43)33-37)51-19-11-13-29-56-51)38-24-28-44-42-16-8-10-18-48(42)59(50(44)34-38)52-20-12-14-30-57-52;1-53(2,3)35-21-27-49-43(31-35)44-32-36(54(4,5)6)22-28-50(44)59(49,37-23-25-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-26-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;1-53(2,3)35-21-25-43-44-26-22-36(54(4,5)6)32-50(44)59(49(43)31-35,37-23-27-41-39-15-7-9-17-45(39)57(47(41)33-37)51-19-11-13-29-55-51)38-24-28-42-40-16-8-10-18-46(40)58(48(42)34-38)52-20-12-14-30-56-52;;;;/h4*7-32H,1-6H3;;;;/q4*-2;4*+2 |
| InChIKey | IDGLLESFZPKWGY-UHFFFAOYSA-N |
| XLogP | 46.90 |
| TPSA | 142.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3501.77 |
| LogP ≤ 5 | 46.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|