C207H130N16O2S2 — CID 159030947
12-(4-dibenzofuran-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-(4-dibenzofuran-2-ylphenyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole (PubChem CID 159030947) has the molecular formula C207H130N16O2S2 and a molecular weight of 2937.56 g/mol. Its IUPAC name is 12-(4-dibenzofuran-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-(4-dibenzofuran-2-ylphenyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole.
| Compound Name | 12-(4-dibenzofuran-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-(4-dibenzofuran-2-ylphenyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 159030947 |
| Molecular Formula | C207H130N16O2S2 |
| Molecular Weight | 2937.56 g/mol |
| Exact Mass | 2935.00 |
| IUPAC Name | 12-(4-dibenzofuran-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-(4-dibenzofuran-2-ylphenyl)-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole;12-(4-dibenzothiophen-2-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-3-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-[4-(9,9-dimethylfluoren-3-yl)phenyl]-12-(1,3,5-triazin-2-yl)indolo[2,3-a]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ncncn7)c6c54)cc3)ccc21.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)c4c32)cc1.c1ccc2c(c1)oc1ccc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ncncn7)c6c54)cc3)cc12 |
| InChI | InChI=1S/C42H29N5.C42H26N2O.2C42H26N2S.C39H23N5O/c1-42(2)35-12-6-3-9-29(35)34-23-27(17-22-36(34)42)26-15-18-28(19-16-26)46-37-13-7-4-10-30(37)32-20-21-33-31-11-5-8-14-38(31)47(40(33)39(32)46)41-44-24-43-25-45-41;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)35-24-25-36-32-13-5-8-16-38(32)44(42(36)41(35)43)30-21-18-27(19-22-30)28-20-23-34-33-14-6-9-17-39(33)45-40(34)26-28;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)34-23-24-35-32-13-5-8-16-38(32)44(42(35)41(34)43)30-21-18-27(19-22-30)28-20-25-40-36(26-28)33-14-6-9-17-39(33)45-40;1-2-10-29(11-3-1)43-37-15-7-4-12-31(37)35-24-25-36-32-13-5-8-16-38(32)44(42(36)41(35)43)30-21-18-27(19-22-30)28-20-23-34-33-14-6-9-17-39(33)45-40(34)26-28;1-4-10-33-27(7-1)30-18-19-31-28-8-2-5-11-34(28)44(39-41-22-40-23-42-39)38(31)37(30)43(33)26-16-13-24(14-17-26)25-15-20-36-32(21-25)29-9-3-6-12-35(29)45-36/h3-25H,1-2H3;3*1-26H;1-23H |
| InChIKey | JUWKRKMGPZMSTN-UHFFFAOYSA-N |
| XLogP | 54.95 |
| TPSA | 152.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 227 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2937.56 |
| LogP ≤ 5 | 54.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |