C147H92N12S3 — CID 159013157
9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 159013157) has the molecular formula C147H92N12S3 and a molecular weight of 2122.64 g/mol. Its IUPAC name is 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 159013157 |
| Molecular Formula | C147H92N12S3 |
| Molecular Weight | 2122.64 g/mol |
| Exact Mass | 2120.67 |
| IUPAC Name | 9-[4-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-4-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6sc7ccccc7c6c5)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6c5sc5cccc(-c7ccccc7)c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6sc7cccc(-c8ccccc8)c7c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/2C51H32N4S.C45H28N4S/c1-3-14-34(15-4-1)39-22-13-27-46-47(39)43-24-12-23-40(48(43)56-46)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-44-25-9-7-20-41(44)42-21-8-10-26-45(42)55;1-3-14-34(15-4-1)39-22-12-26-45-47(39)48-40(23-13-27-46(48)56-45)38-19-11-18-37(32-38)33-28-30-36(31-29-33)50-52-49(35-16-5-2-6-17-35)53-51(54-50)55-43-24-9-7-20-41(43)42-21-8-10-25-44(42)55;1-2-11-30(12-3-1)43-46-44(48-45(47-43)49-39-18-7-4-15-35(39)36-16-5-8-19-40(36)49)31-23-21-29(22-24-31)32-13-10-14-33(27-32)34-25-26-42-38(28-34)37-17-6-9-20-41(37)50-42/h2*1-32H;1-28H |
| InChIKey | JSTGQHUJKJVGHI-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 |