C164H115N17Si2 — CID 165053274
[3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 165053274) has the molecular formula C164H115N17Si2 and a molecular weight of 2380.01 g/mol. Its IUPAC name is [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 165053274 |
| Molecular Formula | C164H115N17Si2 |
| Molecular Weight | 2380.01 g/mol |
| Exact Mass | 2377.91 |
| IUPAC Name | [3-[4-carbazol-9-yl-6-(2,6-dimethylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;[3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | Cc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-n2c3ccccc3c3ccccc32)n1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)n2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3nc(-n4c5ccccc5c5ccccc54)nc(-n4c5ccccc5c5ccccc54)n3)c2)cc1 |
| InChI | InChI=1S/C51H35N5Si.C47H36N4Si.2C33H22N4/c1-4-20-37(21-5-1)57(38-22-6-2-7-23-38,39-24-8-3-9-25-39)40-26-18-19-36(35-40)49-52-50(55-45-31-14-10-27-41(45)42-28-11-15-32-46(42)55)54-51(53-49)56-47-33-16-12-29-43(47)44-30-13-17-34-48(44)56;1-33-18-16-19-34(2)44(33)46-48-45(49-47(50-46)51-42-30-14-12-28-40(42)41-29-13-15-31-43(41)51)35-20-17-27-39(32-35)52(36-21-6-3-7-22-36,37-23-8-4-9-24-37)38-25-10-5-11-26-38;1-4-12-23(13-5-1)31-34-32(24-14-6-2-7-15-24)36-33(35-31)25-20-21-30-28(22-25)27-18-10-11-19-29(27)37(30)26-16-8-3-9-17-26;1-3-12-23(13-4-1)31-34-32(24-14-5-2-6-15-24)36-33(35-31)25-16-11-17-26(22-25)37-29-20-9-7-18-27(29)28-19-8-10-21-30(28)37/h1-35H;3-32H,1-2H3;2*1-22H |
| InChIKey | PZTQJZBVYMOEIG-UHFFFAOYSA-N |
| XLogP | 33.35 |
| TPSA | 179.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 183 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2380.01 |
| LogP ≤ 5 | 33.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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