C150H90Br5N5O2S3 — CID 160914399
2-(2-bromophenyl)-9-dibenzofuran-2-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-4-ylcarbazole (PubChem CID 160914399) has the molecular formula C150H90Br5N5O2S3 and a molecular weight of 2490.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)-9-dibenzofuran-2-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-4-ylcarbazole.
| Compound Name | 2-(2-bromophenyl)-9-dibenzofuran-2-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-4-ylcarbazole |
|---|---|
| PubChem CID | 160914399 |
| Molecular Formula | C150H90Br5N5O2S3 |
| Molecular Weight | 2490.12 g/mol |
| Exact Mass | 2483.22 |
| IUPAC Name | 2-(2-bromophenyl)-9-dibenzofuran-2-ylcarbazole;2-(2-bromophenyl)-9-dibenzofuran-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-1-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-3-ylcarbazole;2-(2-bromophenyl)-9-dibenzothiophen-4-ylcarbazole |
| SMILES | Brc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)oc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4c(c3)sc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3ccc4oc5ccccc5c4c3)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4c3sc3ccccc34)c2c1.Brc1ccccc1-c1ccc2c3ccccc3n(-c3cccc4sc5ccccc5c34)c2c1 |
| InChI | InChI=1S/2C30H18BrNO.3C30H18BrNS/c31-26-10-4-1-7-21(26)19-13-15-23-22-8-2-5-11-27(22)32(28(23)17-19)20-14-16-30-25(18-20)24-9-3-6-12-29(24)33-30;31-26-10-4-1-7-21(26)19-13-15-23-22-8-2-5-11-27(22)32(28(23)17-19)20-14-16-25-24-9-3-6-12-29(24)33-30(25)18-20;31-25-12-4-1-8-20(25)19-16-17-22-21-9-2-5-13-26(21)32(28(22)18-19)27-14-7-11-24-23-10-3-6-15-29(23)33-30(24)27;31-24-11-4-1-8-20(24)19-16-17-22-21-9-2-5-12-25(21)32(27(22)18-19)26-13-7-15-29-30(26)23-10-3-6-14-28(23)33-29;31-26-10-4-1-7-21(26)19-13-15-23-22-8-2-5-11-27(22)32(28(23)17-19)20-14-16-25-24-9-3-6-12-29(24)33-30(25)18-20/h5*1-18H |
| InChIKey | SRFFPLHXTUEWIE-UHFFFAOYSA-N |
| XLogP | 46.97 |
| TPSA | 50.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 165 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2490.12 |
| LogP ≤ 5 | 46.97 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |