C224H165N11Si3 — CID 165065810
2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane (PubChem CID 165065810) has the molecular formula C224H165N11Si3 and a molecular weight of 3099.14 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane.
| Compound Name | 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane |
|---|---|
| PubChem CID | 165065810 |
| Molecular Formula | C224H165N11Si3 |
| Molecular Weight | 3099.14 g/mol |
| Exact Mass | 3096.28 |
| IUPAC Name | 2-(2-methylphenyl)-4,6-bis(3-tritylphenyl)-1,3,5-triazine;2-phenyl-4,6-bis(3-tritylphenyl)-1,3,5-triazine;triphenyl-[3-[4-phenyl-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]silane;triphenyl-[3-[3-(1,2,3,4-tetradeuteriocarbazol-9-yl)carbazol-9-yl]phenyl]silane |
| SMILES | Cc1ccccc1-c1nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)nc(-c2cccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.[2H]c1c([2H])c([2H])c2c(c1[2H])c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.c1ccc(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)cc1 |
| InChI | InChI=1S/C60H45N3.C59H43N3.C57H43N3Si2.C48H34N2Si/c1-44-24-20-21-41-55(44)58-62-56(45-25-22-39-53(42-45)59(47-27-8-2-9-28-47,48-29-10-3-11-30-48)49-31-12-4-13-32-49)61-57(63-58)46-26-23-40-54(43-46)60(50-33-14-5-15-34-50,51-35-16-6-17-36-51)52-37-18-7-19-38-52;1-8-24-44(25-9-1)55-60-56(45-26-22-40-53(42-45)58(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)62-57(61-55)46-27-23-41-54(43-46)59(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-8-24-44(25-9-1)55-58-56(45-26-22-40-53(42-45)61(47-28-10-2-11-29-47,48-30-12-3-13-31-48)49-32-14-4-15-33-49)60-57(59-55)46-27-23-41-54(43-46)62(50-34-16-5-17-35-50,51-36-18-6-19-37-51)52-38-20-7-21-39-52;1-4-18-37(19-5-1)51(38-20-6-2-7-21-38,39-22-8-3-9-23-39)40-24-16-17-35(33-40)49-47-30-15-12-27-43(47)44-34-36(31-32-48(44)49)50-45-28-13-10-25-41(45)42-26-11-14-29-46(42)50/h2-43H,1H3;2*1-43H;1-34H/i;;;10D,13D,25D,28D |
| InChIKey | RYBYYPGUKXUMCA-PAMNKGTASA-N |
| XLogP | 44.47 |
| TPSA | 125.87 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 238 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3099.14 |
| LogP ≤ 5 | 44.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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