C147H92N12S3 — CID 158377536
3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole (PubChem CID 158377536) has the molecular formula C147H92N12S3 and a molecular weight of 2122.64 g/mol. Its IUPAC name is 3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole.
| Compound Name | 3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole |
|---|---|
| PubChem CID | 158377536 |
| Molecular Formula | C147H92N12S3 |
| Molecular Weight | 2122.64 g/mol |
| Exact Mass | 2120.67 |
| IUPAC Name | 3-dibenzothiophen-4-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-dibenzothiophen-4-yl-9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7sc7ccccc78)ccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc7c6sc6ccccc67)ccc54)c3)n2)cc1 |
| InChI | InChI=1S/2C51H32N4S.C45H28N4S/c1-3-14-33(15-4-1)49-52-50(34-16-5-2-6-17-34)54-51(53-49)38-20-11-18-35(30-38)36-19-12-21-39(31-36)55-45-26-9-7-22-41(45)44-32-37(28-29-46(44)55)40-24-13-25-43-42-23-8-10-27-47(42)56-48(40)43;1-3-12-35(13-4-1)49-52-50(36-14-5-2-6-15-36)54-51(53-49)37-24-22-33(23-25-37)34-26-29-39(30-27-34)55-45-20-9-7-16-41(45)44-32-38(28-31-46(44)55)40-18-11-19-43-42-17-8-10-21-47(42)56-48(40)43;1-3-13-29(14-4-1)43-46-44(30-15-5-2-6-16-30)48-45(47-43)32-17-11-18-33(27-32)49-39-23-9-7-19-35(39)38-28-31(25-26-40(38)49)34-21-12-22-37-36-20-8-10-24-41(36)50-42(34)37/h2*1-32H;1-28H |
| InChIKey | GVJRRYXOMSWYID-UHFFFAOYSA-N |
| XLogP | 39.35 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 162 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2122.64 |
| LogP ≤ 5 | 39.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |