C153H93N15OS2 — CID 158591073
5-dibenzofuran-4-yl-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-b]carbazole;12-dibenzothiophen-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;11-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole (PubChem CID 158591073) has the molecular formula C153H93N15OS2 and a molecular weight of 2221.66 g/mol. Its IUPAC name is 5-dibenzofuran-4-yl-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-b]carbazole;12-dibenzothiophen-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;11-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole.
| Compound Name | 5-dibenzofuran-4-yl-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-b]carbazole;12-dibenzothiophen-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;11-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 158591073 |
| Molecular Formula | C153H93N15OS2 |
| Molecular Weight | 2221.66 g/mol |
| Exact Mass | 2219.71 |
| IUPAC Name | 5-dibenzofuran-4-yl-7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-b]carbazole;12-dibenzothiophen-2-yl-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole;11-dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccc5sc6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7ccccc7n(-c7cccc8c7oc7ccccc78)c6cc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccc8sc9ccccc9c8c7)c6c54)cc3)n2)cc1 |
| InChI | InChI=1S/C51H31N5O.2C51H31N5S/c1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)34-26-28-35(29-27-34)55-42-22-10-7-18-36(42)40-30-41-37-19-8-11-23-43(37)56(46(41)31-45(40)55)44-24-13-21-39-38-20-9-12-25-47(38)57-48(39)44;1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)34-23-25-35(26-24-34)55-43-20-10-7-17-37(43)40-28-29-41-38-18-8-11-21-44(38)56(48(41)47(40)55)36-27-30-46-42(31-36)39-19-9-12-22-45(39)57-46;1-3-13-32(14-4-1)49-52-50(33-15-5-2-6-16-33)54-51(53-49)34-23-25-35(26-24-34)55-43-20-10-7-17-37(43)40-31-46-41(30-45(40)55)38-18-8-11-21-44(38)56(46)36-27-28-48-42(29-36)39-19-9-12-22-47(39)57-48/h3*1-31H |
| InChIKey | HULITJKYMILWPJ-UHFFFAOYSA-N |
| XLogP | 39.84 |
| TPSA | 158.73 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 171 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2221.66 |
| LogP ≤ 5 | 39.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |