C172H110N12O3 — CID 158316939
3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole (PubChem CID 158316939) has the molecular formula C172H110N12O3 and a molecular weight of 2392.85 g/mol. Its IUPAC name is 3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole.
| Compound Name | 3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole |
|---|---|
| PubChem CID | 158316939 |
| Molecular Formula | C172H110N12O3 |
| Molecular Weight | 2392.85 g/mol |
| Exact Mass | 2390.88 |
| IUPAC Name | 3-[9-[3-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-naphthalen-2-ylcarbazole;9-phenyl-3-[9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-2-yl]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)c4)n3)cc21.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-c5cccc6oc7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c56)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8ccccc8c7)cc6c45)c3)n2)cc1 |
| InChI | InChI=1S/C60H40N4O.C57H36N4O.C55H34N4O/c1-60(2)50-24-11-9-21-45(50)46-30-27-42(36-51(46)60)59-62-57(37-15-5-3-6-16-37)61-58(63-59)41-18-13-17-40(33-41)44-23-14-26-55-56(44)49-35-39(29-32-54(49)65-55)38-28-31-53-48(34-38)47-22-10-12-25-52(47)64(53)43-19-7-4-8-20-43;1-4-14-37(15-5-1)38-26-28-40(29-27-38)56-58-55(39-16-6-2-7-17-39)59-57(60-56)44-19-12-18-43(34-44)46-23-13-25-53-54(46)49-36-42(31-33-52(49)62-53)41-30-32-51-48(35-41)47-22-10-11-24-50(47)61(51)45-20-8-3-9-21-45;1-3-14-36(15-4-1)53-56-54(37-16-5-2-6-17-37)58-55(57-53)42-20-11-19-41(31-42)44-22-12-24-51-52(44)47-34-40(27-30-50(47)60-51)39-26-29-49-46(33-39)45-21-9-10-23-48(45)59(49)43-28-25-35-13-7-8-18-38(35)32-43/h3-36H,1-2H3;1-36H;1-34H |
| InChIKey | GOJHYKNXLYHNHF-UHFFFAOYSA-N |
| XLogP | 44.74 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 187 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2392.85 |
| LogP ≤ 5 | 44.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |