C219H158N14Si5 — CID 159901734
diphenyl-(9-phenylcarbazol-3-yl)-pyridin-2-ylsilane;(2,6-diphenyl-4-pyridinyl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(2,6-diphenylpyrimidin-4-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenylpyrimidin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane (PubChem CID 159901734) has the molecular formula C219H158N14Si5 and a molecular weight of 3126.20 g/mol. Its IUPAC name is diphenyl-(9-phenylcarbazol-3-yl)-pyridin-2-ylsilane;(2,6-diphenyl-4-pyridinyl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(2,6-diphenylpyrimidin-4-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenylpyrimidin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane.
| Compound Name | diphenyl-(9-phenylcarbazol-3-yl)-pyridin-2-ylsilane;(2,6-diphenyl-4-pyridinyl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(2,6-diphenylpyrimidin-4-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenylpyrimidin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane |
|---|---|
| PubChem CID | 159901734 |
| Molecular Formula | C219H158N14Si5 |
| Molecular Weight | 3126.20 g/mol |
| Exact Mass | 3123.16 |
| IUPAC Name | diphenyl-(9-phenylcarbazol-3-yl)-pyridin-2-ylsilane;(2,6-diphenyl-4-pyridinyl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(2,6-diphenylpyrimidin-4-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenylpyrimidin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane;(4,6-diphenyl-1,3,5-triazin-2-yl)-diphenyl-(9-phenylcarbazol-3-yl)silane |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccccc4)(c4ccccc4)c4ccccn4)ccc32)cc1 |
| InChI | InChI=1S/C47H34N2Si.2C46H33N3Si.C45H32N4Si.C35H26N2Si/c1-6-18-35(19-7-1)44-33-41(34-45(48-44)36-20-8-2-9-21-36)50(38-24-12-4-13-25-38,39-26-14-5-15-27-39)40-30-31-47-43(32-40)42-28-16-17-29-46(42)49(47)37-22-10-3-11-23-37;1-6-18-34(19-7-1)42-33-43(35-20-8-2-9-21-35)48-46(47-42)50(37-24-12-4-13-25-37,38-26-14-5-15-27-38)39-30-31-45-41(32-39)40-28-16-17-29-44(40)49(45)36-22-10-3-11-23-36;1-6-18-34(19-7-1)42-33-45(48-46(47-42)35-20-8-2-9-21-35)50(37-24-12-4-13-25-37,38-26-14-5-15-27-38)39-30-31-44-41(32-39)40-28-16-17-29-43(40)49(44)36-22-10-3-11-23-36;1-6-18-33(19-7-1)43-46-44(34-20-8-2-9-21-34)48-45(47-43)50(36-24-12-4-13-25-36,37-26-14-5-15-27-37)38-30-31-42-40(32-38)39-28-16-17-29-41(39)49(42)35-22-10-3-11-23-35;1-4-14-27(15-5-1)37-33-21-11-10-20-31(33)32-26-30(23-24-34(32)37)38(28-16-6-2-7-17-28,29-18-8-3-9-19-29)35-22-12-13-25-36-35/h1-34H;2*1-33H;1-32H;1-26H |
| InChIKey | NWAUZKDULOUJRT-UHFFFAOYSA-N |
| XLogP | 38.70 |
| TPSA | 140.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3126.20 |
| LogP ≤ 5 | 38.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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