C294H183N15S5 — CID 167702303
2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine (PubChem CID 167702303) has the molecular formula C294H183N15S5 and a molecular weight of 4086.14 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine.
| Compound Name | 2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine |
|---|---|
| PubChem CID | 167702303 |
| Molecular Formula | C294H183N15S5 |
| Molecular Weight | 4086.14 g/mol |
| Exact Mass | 4082.34 |
| IUPAC Name | 2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-1-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-1-yl)-1,3,5-triazine |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccc6sc7ccccc7c56)cc4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)c2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3-4)n2)cc1.c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)nc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-c5ccc(-c6cccc7ccccc67)cc5)nc(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)n4)cccc32)cc1 |
| InChI | InChI=1S/C62H39N3S.2C58H35N3S.2C58H37N3S/c1-3-18-45(19-4-1)62(46-20-5-2-6-21-46)53-28-11-9-23-50(53)57-52(27-14-29-54(57)62)61-64-59(43-36-32-41(33-37-43)48-25-13-17-40-16-7-8-22-47(40)48)63-60(65-61)44-38-34-42(35-39-44)49-26-15-31-56-58(49)51-24-10-12-30-55(51)66-56;1-2-14-36(15-3-1)37-28-32-39(33-29-37)55-59-56(40-34-30-38(31-35-40)41-20-12-22-47-45-19-7-11-27-52(45)62-54(41)47)61-57(60-55)48-23-13-21-46-44-18-6-10-26-51(44)58(53(46)48)49-24-8-4-16-42(49)43-17-5-9-25-50(43)58;1-2-16-36(17-3-1)39-18-4-5-23-47(39)56-59-55(38-34-32-37(33-35-38)40-24-14-26-46-44-22-9-13-31-52(44)62-54(40)46)60-57(61-56)48-27-15-25-45-43-21-8-12-30-51(43)58(53(45)48)49-28-10-6-19-41(49)42-20-7-11-29-50(42)58;1-4-17-38(18-5-1)41-19-14-20-42(37-41)56-59-55(40-35-33-39(34-36-40)45-27-16-32-52-54(45)47-26-11-13-31-51(47)62-52)60-57(61-56)48-28-15-30-50-53(48)46-25-10-12-29-49(46)58(50,43-21-6-2-7-22-43)44-23-8-3-9-24-44;1-4-18-38(19-5-1)43-24-10-11-25-45(43)56-59-55(40-36-34-39(35-37-40)44-28-17-33-52-54(44)47-27-13-15-32-51(47)62-52)60-57(61-56)48-29-16-31-50-53(48)46-26-12-14-30-49(46)58(50,41-20-6-2-7-21-41)42-22-8-3-9-23-42/h1-39H;2*1-35H;2*1-37H |
| InChIKey | YOPYRTKNVFQMNU-UHFFFAOYSA-N |
| XLogP | 75.80 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 314 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4086.14 |
| LogP ≤ 5 | 75.80 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |