C318H194N24S3 — CID 163479872
1-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole (PubChem CID 163479872) has the molecular formula C318H194N24S3 and a molecular weight of 4447.42 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole.
| Compound Name | 1-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole |
|---|---|
| PubChem CID | 163479872 |
| Molecular Formula | C318H194N24S3 |
| Molecular Weight | 4447.42 g/mol |
| Exact Mass | 4443.51 |
| IUPAC Name | 1-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;2-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-1-phenylcarbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2-phenylcarbazole |
| SMILES | c1ccc(-c2ccc3c4ccccc4n(-c4cc5c6ccccc6c6ccccc6c5cc4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4cc(-c5cccc6c5sc5ccccc56)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4ccc(-c5cccc6c5sc5ccccc56)cc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4cccc(-c5cccc6c5sc5ccccc56)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4cccc(-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c5ccccc5c5ccccc5c4cc3-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/3C57H34N4S.2C51H32N4.C45H28N4/c1-3-17-35(18-4-1)55-58-56(36-19-5-2-6-20-36)60-57(59-55)49-33-47-39-23-9-7-21-37(39)38-22-8-10-24-40(38)48(47)34-51(49)61-50-31-13-11-25-41(50)43-27-15-28-44(53(43)61)46-30-16-29-45-42-26-12-14-32-52(42)62-54(45)46;1-3-16-35(17-4-1)55-58-56(36-18-5-2-6-19-36)60-57(59-55)49-33-47-41-22-9-7-20-39(41)40-21-8-10-23-42(40)48(47)34-52(49)61-50-28-13-11-24-43(50)44-31-30-37(32-51(44)61)38-26-15-27-46-45-25-12-14-29-53(45)62-54(38)46;1-3-16-35(17-4-1)55-58-56(36-18-5-2-6-19-36)60-57(59-55)49-33-46-41-22-9-7-20-39(41)40-21-8-10-23-42(40)47(46)34-52(49)61-50-28-13-11-24-43(50)48-32-37(30-31-51(48)61)38-26-15-27-45-44-25-12-14-29-53(44)62-54(38)45;1-4-17-33(18-5-1)36-28-16-29-42-41-27-14-15-30-46(41)55(48(36)42)47-32-44-40-26-13-11-24-38(40)37-23-10-12-25-39(37)43(44)31-45(47)51-53-49(34-19-6-2-7-20-34)52-50(54-51)35-21-8-3-9-22-35;1-4-16-33(17-5-1)36-28-29-42-41-26-14-15-27-46(41)55(47(42)30-36)48-32-44-40-25-13-11-23-38(40)37-22-10-12-24-39(37)43(44)31-45(48)51-53-49(34-18-6-2-7-19-34)52-50(54-51)35-20-8-3-9-21-35;1-3-15-29(16-4-1)43-46-44(30-17-5-2-6-18-30)48-45(47-43)39-27-37-33-21-9-7-19-31(33)32-20-8-10-22-34(32)38(37)28-42(39)49-40-25-13-11-23-35(40)36-24-12-14-26-41(36)49/h3*1-34H;2*1-32H;1-28H |
| InChIKey | CDPZSEITQSHDBI-UHFFFAOYSA-N |
| XLogP | 84.01 |
| TPSA | 261.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 345 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4447.42 |
| LogP ≤ 5 | 84.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |