C198H120N20O2S2 — CID 158343531
12-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole (PubChem CID 158343531) has the molecular formula C198H120N20O2S2 and a molecular weight of 2875.41 g/mol. Its IUPAC name is 12-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole.
| Compound Name | 12-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 158343531 |
| Molecular Formula | C198H120N20O2S2 |
| Molecular Weight | 2875.41 g/mol |
| Exact Mass | 2872.93 |
| IUPAC Name | 12-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(4-dibenzothiophen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)oc4ccccc45)nc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccccc6)c54)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6cccc7c6oc6ccccc67)n5)c34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1 |
| InChI | InChI=1S/2C51H31N5O.C51H31N5S.C45H27N5S/c1-3-14-32(15-4-1)33-26-28-35(29-27-33)55-43-24-11-8-20-40(43)46-44(55)31-30-38-36-18-7-10-23-42(36)56(47(38)46)51-53-49(34-16-5-2-6-17-34)52-50(54-51)41-22-13-21-39-37-19-9-12-25-45(37)57-48(39)41;1-3-13-32(14-4-1)33-23-25-34(26-24-33)49-52-50(35-27-28-39-38-18-9-12-22-45(38)57-46(39)31-35)54-51(53-49)56-42-20-10-7-17-37(42)40-29-30-44-47(48(40)56)41-19-8-11-21-43(41)55(44)36-15-5-2-6-16-36;1-3-13-33(14-4-1)49-52-50(34-25-23-32(24-26-34)35-27-30-46-41(31-35)38-18-9-12-22-45(38)57-46)54-51(53-49)56-42-20-10-7-17-37(42)39-28-29-44-47(48(39)56)40-19-8-11-21-43(40)55(44)36-15-5-2-6-16-36;1-3-13-28(14-4-1)43-46-44(29-23-24-33-32-18-9-12-22-39(32)51-40(33)27-29)48-45(47-43)50-36-20-10-7-17-31(36)34-25-26-38-41(42(34)50)35-19-8-11-21-37(35)49(38)30-15-5-2-6-16-30/h3*1-31H;1-27H |
| InChIKey | GRLFSBGZRUYEPT-UHFFFAOYSA-N |
| XLogP | 51.13 |
| TPSA | 220.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2875.41 |
| LogP ≤ 5 | 51.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |