C252H154N22O5 — CID 158659259
9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole (PubChem CID 158659259) has the molecular formula C252H154N22O5 and a molecular weight of 3570.15 g/mol. Its IUPAC name is 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole.
| Compound Name | 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 158659259 |
| Molecular Formula | C252H154N22O5 |
| Molecular Weight | 3570.15 g/mol |
| Exact Mass | 3567.25 |
| IUPAC Name | 9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole;11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5-phenylindolo[3,2-b]carbazole;5-phenyl-11-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]indolo[3,2-b]carbazole;5-phenyl-11-[9-(4-phenylquinazolin-2-yl)dibenzofuran-4-yl]indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6c(-n7c8ccccc8c8cc9c(cc87)c7ccccc7n9-c7ccccc7)cccc6c45)n3)c2)cc1.c1ccc(-c2nc(-c3cccc4oc5c(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cccc5c34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5c(-n6c7ccccc7c7cc8c(cc76)c6ccccc6n8-c6ccccc6)cccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(-n6c7ccccc7c7ccccc76)ccc5c34)n2)cc1.c1ccc(-n2c(-c3ccc(-c4cccc5oc6c(-n7c8ccccc8c8cc9c(cc87)c7ccccc7n9-c7ccccc7)cccc6c45)cc3)nc3ccccc32)cc1 |
| InChI | InChI=1S/C57H35N5O.C55H34N4O.C51H31N5O.C50H30N4O.C39H24N4O/c1-4-17-36(18-5-1)38-21-14-22-39(33-38)56-58-55(37-19-6-2-7-20-37)59-57(60-56)44-28-16-32-52-53(44)43-27-15-31-49(54(43)63-52)62-48-30-13-11-26-42(48)46-34-50-45(35-51(46)62)41-25-10-12-29-47(41)61(50)40-23-8-3-9-24-40;1-3-15-37(16-4-1)57-46-24-10-7-19-40(46)43-34-51-44(33-50(43)57)41-20-8-11-25-47(41)59(51)49-27-13-22-42-53-39(21-14-28-52(53)60-54(42)49)35-29-31-36(32-30-35)55-56-45-23-9-12-26-48(45)58(55)38-17-5-2-6-18-38;1-4-16-32(17-5-1)49-52-50(33-18-6-2-7-19-33)54-51(53-49)38-25-15-29-46-47(38)37-24-14-28-43(48(37)57-46)56-42-27-13-11-23-36(42)40-30-44-39(31-45(40)56)35-22-10-12-26-41(35)55(44)34-20-8-3-9-21-34;1-3-15-31(16-4-1)48-35-21-7-10-24-40(35)51-50(52-48)37-23-14-28-46-47(37)36-22-13-27-43(49(36)55-46)54-42-26-12-9-20-34(42)39-29-44-38(30-45(39)54)33-19-8-11-25-41(33)53(44)32-17-5-2-6-18-32;1-3-12-25(13-4-1)37-40-38(26-14-5-2-6-15-26)42-39(41-37)31-18-11-21-34-36(31)30-23-22-27(24-35(30)44-34)43-32-19-9-7-16-28(32)29-17-8-10-20-33(29)43/h1-35H;1-34H;1-31H;1-30H;1-24H |
| InChIKey | ICNVHLLXWZSFMF-UHFFFAOYSA-N |
| XLogP | 64.98 |
| TPSA | 269.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 279 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3570.15 |
| LogP ≤ 5 | 64.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |