C224H144N12O4 — CID 165084892
2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine (PubChem CID 165084892) has the molecular formula C224H144N12O4 and a molecular weight of 3067.70 g/mol. Its IUPAC name is 2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine.
| Compound Name | 2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 165084892 |
| Molecular Formula | C224H144N12O4 |
| Molecular Weight | 3067.70 g/mol |
| Exact Mass | 3065.14 |
| IUPAC Name | 2-phenanthren-2-yl-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-phenylphenyl)-4-[9-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3ccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc6c(c5)oc5cccc(-c7cccc(-c8ccccc8)c7)c56)n4)cc3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccc(-c6ccccc6)cc5)nc(-c5ccc6c(c5)oc5cccc(-c7cccc(-c8ccccc8)c7)c56)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7ccccc7)c6)c45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(ccc6ccccc65)c4)nc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7ccccc7)c6)c45)n3)cc2)cc1 |
| InChI | InChI=1S/3C57H37N3O.C53H33N3O/c1-4-13-38(14-5-1)41-25-27-43(28-26-41)46-20-11-22-48(36-46)56-58-55(44-31-29-42(30-32-44)39-15-6-2-7-16-39)59-57(60-56)49-33-34-51-53(37-49)61-52-24-12-23-50(54(51)52)47-21-10-19-45(35-47)40-17-8-3-9-18-40;1-4-13-38(14-5-1)41-25-29-43(30-26-41)55-58-56(44-31-27-42(28-32-44)46-20-10-19-45(35-46)39-15-6-2-7-16-39)60-57(59-55)49-33-34-51-53(37-49)61-52-24-12-23-50(54(51)52)48-22-11-21-47(36-48)40-17-8-3-9-18-40;1-4-12-38(13-5-1)41-22-24-43(25-23-41)44-28-32-46(33-29-44)56-58-55(45-30-26-42(27-31-45)39-14-6-2-7-15-39)59-57(60-56)49-34-35-51-53(37-49)61-52-21-11-20-50(54(51)52)48-19-10-18-47(36-48)40-16-8-3-9-17-40;1-3-11-34(12-4-1)36-21-24-38(25-22-36)51-54-52(42-27-29-45-41(32-42)26-23-37-15-7-8-18-44(37)45)56-53(55-51)43-28-30-47-49(33-43)57-48-20-10-19-46(50(47)48)40-17-9-16-39(31-40)35-13-5-2-6-14-35/h3*1-37H;1-33H |
| InChIKey | VSRPLAPBQCGUKT-UHFFFAOYSA-N |
| XLogP | 59.40 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3067.70 |
| LogP ≤ 5 | 59.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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