C153H96N12O3 — CID 157148440
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole (PubChem CID 157148440) has the molecular formula C153H96N12O3 and a molecular weight of 2150.53 g/mol. Its IUPAC name is 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole.
| Compound Name | 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole |
|---|---|
| PubChem CID | 157148440 |
| Molecular Formula | C153H96N12O3 |
| Molecular Weight | 2150.53 g/mol |
| Exact Mass | 2148.77 |
| IUPAC Name | 9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole |
| SMILES | c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)c23)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)c45)c3c2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c45)c3c2)cc1 |
| InChI | InChI=1S/3C51H32N4O/c1-4-14-33(15-5-1)36-26-28-42-41-22-10-11-24-44(41)55(45(42)31-36)39-27-29-43-47(32-39)56-46-25-13-23-40(48(43)46)37-20-12-21-38(30-37)51-53-49(34-16-6-2-7-17-34)52-50(54-51)35-18-8-3-9-19-35;1-4-13-33(14-5-1)38-27-30-45-43(31-38)41-19-10-11-21-44(41)55(45)39-28-29-42-47(32-39)56-46-22-12-20-40(48(42)46)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36;1-4-13-33(14-5-1)38-27-29-42-41-19-10-11-21-44(41)55(45(42)31-38)39-28-30-43-47(32-39)56-46-22-12-20-40(48(43)46)34-23-25-37(26-24-34)51-53-49(35-15-6-2-7-16-35)52-50(54-51)36-17-8-3-9-18-36/h3*1-32H |
| InChIKey | AKZBEMKQCKVHNI-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 |