C256H156N12O2S6 — CID 167673861
2-(3-dibenzofuran-2-yl-5-phenylphenyl)-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine (PubChem CID 167673861) has the molecular formula C256H156N12O2S6 and a molecular weight of 3624.55 g/mol. Its IUPAC name is 2-(3-dibenzofuran-2-yl-5-phenylphenyl)-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine.
| Compound Name | 2-(3-dibenzofuran-2-yl-5-phenylphenyl)-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 167673861 |
| Molecular Formula | C256H156N12O2S6 |
| Molecular Weight | 3624.55 g/mol |
| Exact Mass | 3621.08 |
| IUPAC Name | 2-(3-dibenzofuran-2-yl-5-phenylphenyl)-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine |
| SMILES | c1ccc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc(-c7cccc8c7oc7ccccc78)c6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc(-c7cccc8c7sc7ccccc78)c6)cc5)nc(-c5cccc6c5sc5ccccc56)n4)cccc32)cc1 |
| InChI | InChI=1S/2C64H39N3OS.2C64H39N3S2/c1-4-18-40(19-5-1)42-36-43(41-34-35-57-53(39-41)47-24-11-14-32-56(47)68-57)38-44(37-42)61-65-62(67-63(66-61)52-29-16-27-49-48-25-12-15-33-58(48)69-60(49)52)51-28-17-31-55-59(51)50-26-10-13-30-54(50)64(55,45-20-6-2-7-21-45)46-22-8-3-9-23-46;1-3-19-44(20-4-1)64(45-21-5-2-6-22-45)54-31-10-7-25-51(54)58-52(29-16-32-55(58)64)62-65-61(66-63(67-62)53-30-15-28-50-48-24-9-12-34-57(48)69-60(50)53)41-37-35-40(36-38-41)42-17-13-18-43(39-42)46-26-14-27-49-47-23-8-11-33-56(47)68-59(46)49;1-4-18-40(19-5-1)42-36-43(41-34-35-58-53(39-41)48-25-12-14-32-56(48)68-58)38-44(37-42)61-65-62(67-63(66-61)52-29-16-27-49-47-24-11-15-33-57(47)69-60(49)52)51-28-17-31-55-59(51)50-26-10-13-30-54(50)64(55,45-20-6-2-7-21-45)46-22-8-3-9-23-46;1-3-19-44(20-4-1)64(45-21-5-2-6-22-45)54-31-10-7-25-51(54)58-52(29-16-32-55(58)64)62-65-61(66-63(67-62)53-30-15-28-50-48-24-9-12-34-57(48)69-60(50)53)41-37-35-40(36-38-41)42-17-13-18-43(39-42)46-26-14-27-49-47-23-8-11-33-56(47)68-59(46)49/h4*1-39H |
| InChIKey | UNKUYTQKZYRZEJ-UHFFFAOYSA-N |
| XLogP | 68.29 |
| TPSA | 180.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 276 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3624.55 |
| LogP ≤ 5 | 68.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |