C143H89N21 — CID 159586717
3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 159586717) has the molecular formula C143H89N21 and a molecular weight of 2101.43 g/mol. Its IUPAC name is 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
| Compound Name | 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 159586717 |
| Molecular Formula | C143H89N21 |
| Molecular Weight | 2101.43 g/mol |
| Exact Mass | 2099.76 |
| IUPAC Name | 3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-1-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(4,6-dipyridin-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
| SMILES | c1ccc(-c2cccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccn6)nc(-c6ccccn6)n5)ccc43)c2)cc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)ccc43)n2)nc1.c1ccc(-c2nc(-c3ccccn3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)ccc43)n2)nc1 |
| InChI | InChI=1S/C49H31N7.2C47H29N7/c1-2-13-32(14-3-1)33-15-12-16-36(29-33)55-43-21-6-4-17-37(43)39-30-34(23-25-45(39)55)35-24-26-46-40(31-35)38-18-5-7-22-44(38)56(46)49-53-47(41-19-8-10-27-50-41)52-48(54-49)42-20-9-11-28-51-42;1-2-14-33-30(12-1)13-11-21-40(33)53-41-19-5-3-15-34(41)36-28-31(22-24-43(36)53)32-23-25-44-37(29-32)35-16-4-6-20-42(35)54(44)47-51-45(38-17-7-9-26-48-38)50-46(52-47)39-18-8-10-27-49-39;1-2-12-31-27-34(22-19-30(31)11-1)53-41-17-5-3-13-35(41)37-28-32(20-23-43(37)53)33-21-24-44-38(29-33)36-14-4-6-18-42(36)54(44)47-51-45(39-15-7-9-25-48-39)50-46(52-47)40-16-8-10-26-49-40/h1-31H;2*1-29H |
| InChIKey | MJSCTAXBWULNKT-UHFFFAOYSA-N |
| XLogP | 33.54 |
| TPSA | 222.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2101.43 |
| LogP ≤ 5 | 33.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |