C204H124N14O4 — CID 162066605
2-[8-(5-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole (PubChem CID 162066605) has the molecular formula C204H124N14O4 and a molecular weight of 2835.33 g/mol. Its IUPAC name is 2-[8-(5-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 2-[8-(5-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 162066605 |
| Molecular Formula | C204H124N14O4 |
| Molecular Weight | 2835.33 g/mol |
| Exact Mass | 2832.99 |
| IUPAC Name | 2-[8-(5-naphthalen-2-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;9-phenyl-2-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc4oc5ccc(-c6ccc7c8ccccc8c8ccccc8c7c6)cc5c34)nc(-c3cccc4c3c3ccccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc(-c7ccc8ccccc8c7)c6)cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6cccc7c(-c8ccc9ccccc9c8)cccc67)cc5c34)n2)cc1 |
| InChI | InChI=1S/2C57H34N4O.C47H29N3O.C43H27N3O/c1-3-15-35(16-4-1)55-58-56(45-24-13-27-50-53(45)44-23-11-12-26-49(44)61(50)38-17-5-2-6-18-38)60-57(59-55)46-25-14-28-52-54(46)48-34-37(30-32-51(48)62-52)36-29-31-43-41-21-8-7-19-39(41)40-20-9-10-22-42(40)47(43)33-36;1-3-14-35(15-4-1)55-58-56(38-27-30-46-45-22-11-12-24-50(45)61(51(46)34-38)39-16-5-2-6-17-39)60-57(59-55)47-23-13-25-53-54(47)49-33-37(28-31-52(49)62-53)36-26-29-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)48(44)32-36;1-3-13-31(14-4-1)45-48-46(32-15-5-2-6-16-32)50-47(49-45)40-22-11-23-43-44(40)41-29-35(26-27-42(41)51-43)37-19-10-20-38-36(18-9-21-39(37)38)34-25-24-30-12-7-8-17-33(30)28-34;1-3-12-29(13-4-1)41-44-42(30-14-5-2-6-15-30)46-43(45-41)36-19-10-20-39-40(36)37-27-35(23-24-38(37)47-39)33-18-9-17-32(26-33)34-22-21-28-11-7-8-16-31(28)25-34/h2*1-34H;1-29H;1-27H |
| InChIKey | ZANQKYQXQJOADW-UHFFFAOYSA-N |
| XLogP | 53.66 |
| TPSA | 217.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2835.33 |
| LogP ≤ 5 | 53.66 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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