C147H113GeN9O3Si — CID 165037309
2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]germane;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane (PubChem CID 165037309) has the molecular formula C147H113GeN9O3Si and a molecular weight of 2154.28 g/mol. Its IUPAC name is 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]germane;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane.
| Compound Name | 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]germane;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane |
|---|---|
| PubChem CID | 165037309 |
| Molecular Formula | C147H113GeN9O3Si |
| Molecular Weight | 2154.28 g/mol |
| Exact Mass | 2153.79 |
| IUPAC Name | 2-[9-(4-cyclohexylphenyl)dibenzofuran-3-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]germane;trimethyl-[4-[4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]silane |
| SMILES | C[Ge](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc(-c6ccccc6)cc5)c34)n2)cc1.C[Si](C)(C)c1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c(c3)oc3cccc(-c5ccc(-c6ccccc6)cc5)c34)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6ccc(C7CCCCC7)cc6)c45)n3)cc2)cc1 |
| InChI | InChI=1S/C51H39N3O.C48H37GeN3O.C48H37N3OSi/c1-4-11-34(12-5-1)37-19-25-40(26-20-37)44-17-10-18-46-48(44)45-32-31-43(33-47(45)55-46)51-53-49(41-27-21-38(22-28-41)35-13-6-2-7-14-35)52-50(54-51)42-29-23-39(24-30-42)36-15-8-3-9-16-36;1-49(2,3)40-28-25-38(26-29-40)47-50-46(37-23-19-35(20-24-37)33-13-8-5-9-14-33)51-48(52-47)39-27-30-42-44(31-39)53-43-16-10-15-41(45(42)43)36-21-17-34(18-22-36)32-11-6-4-7-12-32;1-53(2,3)40-28-25-38(26-29-40)47-49-46(37-23-19-35(20-24-37)33-13-8-5-9-14-33)50-48(51-47)39-27-30-42-44(31-39)52-43-16-10-15-41(45(42)43)36-21-17-34(18-22-36)32-11-6-4-7-12-32/h2-3,6-10,13-34H,1,4-5,11-12H2;2*4-31H,1-3H3 |
| InChIKey | NOUJXTPTPWTPTA-UHFFFAOYSA-N |
| XLogP | 38.46 |
| TPSA | 155.43 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2154.28 |
| LogP ≤ 5 | 38.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|