C203H148N12Si5 — CID 158773267
diphenyl-(9-phenylcarbazol-3-yl)-(2-phenyl-4-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenyl-2-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(5-phenyl-3-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenylpyrimidin-2-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(6-phenylpyrimidin-4-yl)silane (PubChem CID 158773267) has the molecular formula C203H148N12Si5 and a molecular weight of 2895.93 g/mol. Its IUPAC name is diphenyl-(9-phenylcarbazol-3-yl)-(2-phenyl-4-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenyl-2-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(5-phenyl-3-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenylpyrimidin-2-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(6-phenylpyrimidin-4-yl)silane.
| Compound Name | diphenyl-(9-phenylcarbazol-3-yl)-(2-phenyl-4-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenyl-2-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(5-phenyl-3-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenylpyrimidin-2-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(6-phenylpyrimidin-4-yl)silane |
|---|---|
| PubChem CID | 158773267 |
| Molecular Formula | C203H148N12Si5 |
| Molecular Weight | 2895.93 g/mol |
| Exact Mass | 2893.08 |
| IUPAC Name | diphenyl-(9-phenylcarbazol-3-yl)-(2-phenyl-4-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenyl-2-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(5-phenyl-3-pyridinyl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(4-phenylpyrimidin-2-yl)silane;diphenyl-(9-phenylcarbazol-3-yl)-(6-phenylpyrimidin-4-yl)silane |
| SMILES | c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ccn2)cc1.c1ccc(-c2cc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)ncn2)cc1.c1ccc(-c2ccnc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-c2ccnc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2cncc([Si](c3ccccc3)(c3ccccc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1 |
| InChI | InChI=1S/3C41H30N2Si.2C40H29N3Si/c1-5-15-31(16-6-1)32-27-37(30-42-29-32)44(34-19-9-3-10-20-34,35-21-11-4-12-22-35)36-25-26-41-39(28-36)38-23-13-14-24-40(38)43(41)33-17-7-2-8-18-33;1-5-15-31(16-6-1)32-27-28-42-41(29-32)44(34-19-9-3-10-20-34,35-21-11-4-12-22-35)36-25-26-40-38(30-36)37-23-13-14-24-39(37)43(40)33-17-7-2-8-18-33;1-5-15-31(16-6-1)39-30-36(27-28-42-39)44(33-19-9-3-10-20-33,34-21-11-4-12-22-34)35-25-26-41-38(29-35)37-23-13-14-24-40(37)43(41)32-17-7-2-8-18-32;1-5-15-30(16-6-1)37-28-40(42-29-41-37)44(32-19-9-3-10-20-32,33-21-11-4-12-22-33)34-25-26-39-36(27-34)35-23-13-14-24-38(35)43(39)31-17-7-2-8-18-31;1-5-15-30(16-6-1)37-27-28-41-40(42-37)44(32-19-9-3-10-20-32,33-21-11-4-12-22-33)34-25-26-39-36(29-34)35-23-13-14-24-38(35)43(39)31-17-7-2-8-18-31/h3*1-30H;2*1-29H |
| InChIKey | IQDLGUXNTQLTQY-UHFFFAOYSA-N |
| XLogP | 34.91 |
| TPSA | 114.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 220 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2895.93 |
| LogP ≤ 5 | 34.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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