C183H114N16O4S — CID 158869733
5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 158869733) has the molecular formula C183H114N16O4S and a molecular weight of 2633.10 g/mol. Its IUPAC name is 5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
| Compound Name | 5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 158869733 |
| Molecular Formula | C183H114N16O4S |
| Molecular Weight | 2633.10 g/mol |
| Exact Mass | 2630.89 |
| IUPAC Name | 5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-c]carbazole;5-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-12,12-dimethylindeno[1,2-c]carbazole;2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-c2cccc3c2oc2ccccc23)n1.c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)nc(-c4cccc5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)n3)cc2)cc1 |
| InChI | InChI=1S/C48H32N4O.C45H26N4OS.2C45H28N4O/c1-48(2)38-20-9-6-15-32(38)34-27-28-40-42(43(34)48)36-17-7-10-21-39(36)52(40)47-50-45(31-25-23-30(24-26-31)29-13-4-3-5-14-29)49-46(51-47)37-19-12-18-35-33-16-8-11-22-41(33)53-44(35)37;1-2-11-27(12-3-1)28-21-23-29(24-22-28)43-46-44(35-17-10-16-32-30-13-5-8-19-38(30)50-41(32)35)48-45(47-43)49-36-18-7-4-15-34(36)40-37(49)26-25-33-31-14-6-9-20-39(31)51-42(33)40;1-3-12-29(13-4-1)30-22-24-31(25-23-30)43-46-44(48-45(47-43)38-19-11-18-37-36-17-8-10-21-41(36)50-42(37)38)32-26-27-35-34-16-7-9-20-39(34)49(40(35)28-32)33-14-5-2-6-15-33;1-3-12-29(13-4-1)30-22-24-31(25-23-30)43-46-44(48-45(47-43)37-19-11-18-36-35-17-8-10-21-41(35)50-42(36)37)32-26-27-40-38(28-32)34-16-7-9-20-39(34)49(40)33-14-5-2-6-15-33/h3-28H,1-2H3;1-26H;2*1-28H |
| InChIKey | JBRRBQBMDSNKRK-UHFFFAOYSA-N |
| XLogP | 47.48 |
| TPSA | 226.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2633.10 |
| LogP ≤ 5 | 47.48 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 21 |