C342H201N21S10 — CID 158295733
3-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-dibenzothiophen-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine;9-phenyl-1-[4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 158295733) has the molecular formula C342H201N21S10 and a molecular weight of 4925.19 g/mol. Its IUPAC name is 3-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-dibenzothiophen-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine;9-phenyl-1-[4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 3-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-dibenzothiophen-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine;9-phenyl-1-[4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 158295733 |
| Molecular Formula | C342H201N21S10 |
| Molecular Weight | 4925.19 g/mol |
| Exact Mass | 4920.36 |
| IUPAC Name | 3-[7-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;2-dibenzothiophen-4-yl-4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[7-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine;9-phenyl-1-[4-phenyl-6-(7-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[7-(3-triphenylen-2-ylphenyl)dibenzothiophen-3-yl]-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)nc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc34)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc34)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6cccc(-c7ccc8c9ccccc9c9ccccc9c8c7)c6)c5)ccc34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4c(c3)sc3cc(-c5cccc(-c6ccc7c8ccccc8c8ccccc8c7c6)c5)ccc34)n2)cc1 |
| InChI | InChI=1S/C63H38N4S.C63H37N3S2.C57H34N4S.C57H33N3S2.C51H30N4S2.C51H29N3S2/c1-3-14-39(15-4-1)61-64-62(44-28-31-53-52-24-11-12-25-57(52)67(58(53)36-44)46-18-5-2-6-19-46)66-63(65-61)45-29-33-55-54-32-27-43(37-59(54)68-60(55)38-45)41-17-13-16-40(34-41)42-26-30-51-49-22-8-7-20-47(49)48-21-9-10-23-50(48)56(51)35-42;1-2-12-38(13-3-1)61-64-62(45-27-31-58-56(35-45)52-22-8-9-23-57(52)67-58)66-63(65-61)46-26-30-54-53-29-25-44(36-59(53)68-60(54)37-46)42-17-11-15-40(33-42)39-14-10-16-41(32-39)43-24-28-51-49-20-5-4-18-47(49)48-19-6-7-21-50(48)55(51)34-43;1-3-14-35(15-4-1)55-58-56(60-57(59-55)49-24-13-23-48-45-22-11-12-25-51(45)61(54(48)49)39-16-5-2-6-17-39)38-28-31-47-46-30-27-37(33-52(46)62-53(47)34-38)36-26-29-44-42-20-8-7-18-40(42)41-19-9-10-21-43(41)50(44)32-36;1-2-11-34(12-3-1)55-58-56(39-23-27-47-46-19-8-9-20-51(46)61-53(47)32-39)60-57(59-55)40-24-28-49-48-26-22-38(31-52(48)62-54(49)33-40)36-14-10-13-35(29-36)37-21-25-45-43-17-5-4-15-41(43)42-16-6-7-18-44(42)50(45)30-37;1-3-12-31(13-4-1)49-52-50(54-51(53-49)40-18-11-21-45-48(40)39-17-8-10-20-44(39)56-45)34-23-26-38-37-25-22-33(29-46(37)57-47(38)30-34)32-24-27-43-41(28-32)36-16-7-9-19-42(36)55(43)35-14-5-2-6-15-35;1-2-11-30(12-3-1)49-52-50(54-51(53-49)43-19-10-18-42-39-17-8-9-20-45(39)56-48(42)43)33-23-26-41-40-25-22-32(28-46(40)55-47(41)29-33)31-21-24-38-36-15-5-4-13-34(36)35-14-6-7-16-37(35)44(38)27-31/h1-38H;1-37H;1-34H;1-33H;1-30H;1-29H |
| InChIKey | GLWQESIUDFSBES-UHFFFAOYSA-N |
| XLogP | 96.17 |
| TPSA | 246.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 373 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4925.19 |
| LogP ≤ 5 | 96.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |