C153H96N12O3 — CID 159318420
bis(2-(2-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole);2-(4-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 159318420) has the molecular formula C153H96N12O3 and a molecular weight of 2150.53 g/mol. Its IUPAC name is bis(2-(2-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole);2-(4-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.
| Compound Name | bis(2-(2-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole);2-(4-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 159318420 |
| Molecular Formula | C153H96N12O3 |
| Molecular Weight | 2150.53 g/mol |
| Exact Mass | 2148.77 |
| IUPAC Name | bis(2-(2-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole);2-(4-dibenzofuran-1-ylphenyl)-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccc(-c7cccc8oc9ccccc9c78)cc6)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccccc6-c6cccc7oc8ccccc8c67)cc54)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc(-c6ccccc6-c6cccc7oc8ccccc8c67)cc54)c3)n2)cc1 |
| InChI | InChI=1S/3C51H32N4O/c1-3-13-35(14-4-1)49-52-50(36-15-5-2-6-16-36)54-51(53-49)38-17-11-18-39(31-38)55-44-22-9-7-19-41(44)42-30-29-37(32-45(42)55)33-25-27-34(28-26-33)40-21-12-24-47-48(40)43-20-8-10-23-46(43)56-47;2*1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)36-19-13-20-37(31-36)55-44-26-11-9-23-40(44)41-30-29-35(32-45(41)55)38-21-7-8-22-39(38)42-25-14-28-47-48(42)43-24-10-12-27-46(43)56-47/h3*1-32H |
| InChIKey | LDLFSPAZZSBBLT-UHFFFAOYSA-N |
| XLogP | 39.61 |
| TPSA | 170.22 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2150.53 |
| LogP ≤ 5 | 39.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |