C225H140N20O2S3 — CID 161448697
2-dibenzofuran-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-dibenzothiophen-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole (PubChem CID 161448697) has the molecular formula C225H140N20O2S3 and a molecular weight of 3251.93 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-dibenzothiophen-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole.
| Compound Name | 2-dibenzofuran-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-dibenzothiophen-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 161448697 |
| Molecular Formula | C225H140N20O2S3 |
| Molecular Weight | 3251.93 g/mol |
| Exact Mass | 3249.06 |
| IUPAC Name | 2-dibenzofuran-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-dibenzothiophen-3-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenylcarbazole;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6ccc7c(c6)oc6ccccc67)cc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c5ccc(-c6ccc7c(c6)sc6ccccc67)cc5n(-c5ccccc5)c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3oc3c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3c(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cccc34)n2)cc1 |
| InChI | InChI=1S/2C45H28N4O.3C45H28N4S/c1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)38-24-13-23-37-36-22-12-21-33(41(36)50-42(37)38)31-26-27-35-34-20-10-11-25-39(34)49(40(35)28-31)32-18-8-3-9-19-32;1-4-12-29(13-5-1)43-46-44(30-14-6-2-7-15-30)48-45(47-43)33-22-24-36-35-23-20-31(26-39(35)49(40(36)27-33)34-16-8-3-9-17-34)32-21-25-38-37-18-10-11-19-41(37)50-42(38)28-32;1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)38-24-13-23-37-36-22-12-21-33(41(36)50-42(37)38)31-26-27-35-34-20-10-11-25-39(34)49(40(35)28-31)32-18-8-3-9-19-32;1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)37-24-13-23-36-35-22-12-21-33(41(35)50-42(36)37)31-26-27-40-38(28-31)34-20-10-11-25-39(34)49(40)32-18-8-3-9-19-32;1-4-12-29(13-5-1)43-46-44(30-14-6-2-7-15-30)48-45(47-43)33-22-24-36-35-23-20-31(26-39(35)49(40(36)27-33)34-16-8-3-9-17-34)32-21-25-38-37-18-10-11-19-41(37)50-42(38)28-32/h5*1-28H |
| InChIKey | WAFTUWSSLQXKNC-UHFFFAOYSA-N |
| XLogP | 59.09 |
| TPSA | 244.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 250 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3251.93 |
| LogP ≤ 5 | 59.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |