C206H122N12O4S4 — CID 159466379
2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-yl]-1,3,5-triazine (PubChem CID 159466379) has the molecular formula C206H122N12O4S4 and a molecular weight of 2957.59 g/mol. Its IUPAC name is 2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-yl]-1,3,5-triazine.
| Compound Name | 2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-yl]-1,3,5-triazine |
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| PubChem CID | 159466379 |
| Molecular Formula | C206H122N12O4S4 |
| Molecular Weight | 2957.59 g/mol |
| Exact Mass | 2954.86 |
| IUPAC Name | 2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-(6-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(7-phenanthren-9-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-(2-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[10-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-6-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3cccc4c3oc3c5ccccc5cc(-c5nc(-c6ccccc6)nc(-c6ccccc6-c6cccc7c6sc6ccccc67)n5)c43)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4oc5cc(-c6cc7ccccc7c7ccccc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccc4c3sc3ccccc34)nc(-c3cccc4oc5c(-c6ccc7ccccc7c6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccc4c3sc3ccccc34)nc(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)n2)cc1 |
| InChI | InChI=1S/C55H33N3OS.C53H31N3OS.2C49H29N3OS/c1-3-15-34(16-4-1)35-29-31-36(32-30-35)39-24-13-27-46-49-47(33-38-19-7-8-20-40(38)51(49)59-50(39)46)55-57-53(37-17-5-2-6-18-37)56-54(58-55)45-23-10-9-21-41(45)43-25-14-26-44-42-22-11-12-28-48(42)60-52(43)44;1-2-13-32(14-3-1)51-54-52(36-17-10-16-33(29-36)38-22-11-23-42-41-21-8-9-26-48(41)58-50(38)42)56-53(55-51)44-24-12-25-46-49(44)43-28-27-35(31-47(43)57-46)45-30-34-15-4-5-18-37(34)39-19-6-7-20-40(39)45;1-2-15-31(16-3-1)47-50-48(39-21-7-6-19-34(39)37-24-12-25-38-35-20-8-9-29-43(35)54-46(37)38)52-49(51-47)41-27-13-28-42-44(41)40-26-11-23-36(45(40)53-42)33-22-10-17-30-14-4-5-18-32(30)33;1-2-14-31(15-3-1)47-50-48(39-19-7-6-17-35(39)37-21-11-22-38-36-18-8-9-26-43(36)54-46(37)38)52-49(51-47)41-24-12-25-42-44(41)40-23-10-20-34(45(40)53-42)33-28-27-30-13-4-5-16-32(30)29-33/h1-33H;1-31H;2*1-29H |
| InChIKey | LVFUQKRKRSCFGF-UHFFFAOYSA-N |
| XLogP | 57.33 |
| TPSA | 207.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 226 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2957.59 |
| LogP ≤ 5 | 57.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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