C259H157N15O5S5 — CID 158008493
2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[8-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-4-yl]-6-[9-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine (PubChem CID 158008493) has the molecular formula C259H157N15O5S5 and a molecular weight of 3719.54 g/mol. Its IUPAC name is 2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[8-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-4-yl]-6-[9-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine.
| Compound Name | 2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[8-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-4-yl]-6-[9-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 158008493 |
| Molecular Formula | C259H157N15O5S5 |
| Molecular Weight | 3719.54 g/mol |
| Exact Mass | 3716.11 |
| IUPAC Name | 2-(9-naphthalen-1-yldibenzofuran-4-yl)-4-phenyl-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzofuran-4-yl)-6-[8-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine;2-phenyl-4-(9-phenyldibenzothiophen-4-yl)-6-[8-(3-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-4-yl]-6-[9-(2-phenylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc3sc4c(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6cccc(-c8ccccc8)c67)n5)cccc4c3c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7cccc(-c9ccccc9)c78)n6)cccc5c4c3)c2)cc1.c1ccc(-c2cccc(-c3ccc4oc5c(-c6nc(-c7ccccc7)nc(-c7cccc8c7sc7cccc(-c9ccccc9-c9ccccc9)c78)n6)cccc5c4c3)c2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5cccc6ccccc56)c34)nc(-c3cccc4c3sc3ccc(-c5ccccc5-c5ccccc5)cc34)n2)cc1.c1ccc(-c2nc(-c3cccc4c3oc3cccc(-c5ccccc5)c34)nc(-c3cccc4c3sc3ccc(-c5ccccc5-c5ccccc5)cc34)n2)cc1 |
| InChI | InChI=1S/C57H35N3OS.C55H33N3OS.2C51H31N3OS.C45H27N3OS/c1-4-16-36(17-5-1)39-22-12-23-40(34-39)41-32-33-50-49(35-41)45-27-13-29-47(53(45)61-50)56-58-55(38-20-8-3-9-21-38)59-57(60-56)48-30-14-28-46-52-44(26-15-31-51(52)62-54(46)48)43-25-11-10-24-42(43)37-18-6-2-7-19-37;1-3-15-34(16-4-1)38-21-9-10-23-40(38)37-31-32-49-47(33-37)43-26-12-29-46(52(43)60-49)55-57-53(36-18-5-2-6-19-36)56-54(58-55)45-28-13-27-44-50-42(25-14-30-48(50)59-51(44)45)41-24-11-20-35-17-7-8-22-39(35)41;1-4-14-32(15-5-1)35-20-10-21-36(30-35)37-28-29-44-43(31-37)39-23-11-25-41(47(39)55-44)50-52-49(34-18-8-3-9-19-34)53-51(54-50)42-26-12-24-40-46-38(33-16-6-2-7-17-33)22-13-27-45(46)56-48(40)42;1-4-15-32(16-5-1)36-21-10-11-22-37(36)35-29-30-45-43(31-35)39-24-12-27-42(48(39)56-45)51-53-49(34-19-8-3-9-20-34)52-50(54-51)41-26-13-25-40-46-38(33-17-6-2-7-18-33)23-14-28-44(46)55-47(40)41;1-4-13-28(14-5-1)31-25-26-39-37(27-31)33-20-10-23-36(42(33)50-39)45-47-43(30-17-8-3-9-18-30)46-44(48-45)35-22-11-21-34-40-32(29-15-6-2-7-16-29)19-12-24-38(40)49-41(34)35/h1-35H;1-33H;2*1-31H;1-27H |
| InChIKey | FEPBGBBEUFNAMO-UHFFFAOYSA-N |
| XLogP | 71.86 |
| TPSA | 259.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 284 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3719.54 |
| LogP ≤ 5 | 71.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |