C238H145N19O6S — CID 158301992
12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole;9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-2-phenylcarbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 158301992) has the molecular formula C238H145N19O6S and a molecular weight of 3398.97 g/mol. Its IUPAC name is 12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole;9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-2-phenylcarbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole.
| Compound Name | 12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole;9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-2-phenylcarbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole |
|---|---|
| PubChem CID | 158301992 |
| Molecular Formula | C238H145N19O6S |
| Molecular Weight | 3398.97 g/mol |
| Exact Mass | 3396.13 |
| IUPAC Name | 12-[7-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-a]carbazole;9-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]carbazole;9-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-2-phenylcarbazole;5-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-n5c6ccccc6c6ccc7c8ccccc8sc7c65)cc34)n2)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4ccc5oc6cc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)ccc6c5c4)c3c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccc(-n6c7ccccc7c7c8oc9ccccc9c8ccc76)cc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)oc4ccc(-n6c7ccccc7c7ccccc76)cc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c(c4)oc4ccc(-n6c7ccccc7c7ccccc76)cc45)c3)n2)cc1 |
| InChI | InChI=1S/C51H30N4O2.C51H32N4O.C46H27N3OS.2C45H28N4O/c1-3-12-31(13-4-1)33-16-11-17-34(28-33)50-52-49(32-14-5-2-6-15-32)53-51(54-50)35-22-24-38-41-30-36(23-27-45(41)56-46(38)29-35)55-42-20-9-7-19-40(42)47-43(55)26-25-39-37-18-8-10-21-44(37)57-48(39)47;1-4-12-33(13-5-1)38-24-27-42-41-18-10-11-19-45(41)55(46(42)30-38)40-26-29-47-44(32-40)43-28-25-39(31-48(43)56-47)34-20-22-37(23-21-34)51-53-49(35-14-6-2-7-15-35)52-50(54-51)36-16-8-3-9-17-36;1-3-11-28(12-4-1)38-27-39(29-13-5-2-6-14-29)48-46(47-38)30-19-21-33-37-26-31(20-24-41(37)50-42(33)25-30)49-40-17-9-7-15-32(40)35-22-23-36-34-16-8-10-18-43(34)51-45(36)44(35)49;1-3-12-29(13-4-1)43-46-44(30-14-5-2-6-15-30)48-45(47-43)33-17-11-16-31(26-33)32-22-24-37-38-28-34(23-25-41(38)50-42(37)27-32)49-39-20-9-7-18-35(39)36-19-8-10-21-40(36)49;1-3-11-30(12-4-1)43-46-44(31-13-5-2-6-14-31)48-45(47-43)32-21-19-29(20-22-32)33-23-25-37-38-28-34(24-26-41(38)50-42(37)27-33)49-39-17-9-7-15-35(39)36-16-8-10-18-40(36)49/h1-30H;1-32H;1-27H;2*1-28H |
| InChIKey | GMPJIOWIXKOCHD-UHFFFAOYSA-N |
| XLogP | 62.55 |
| TPSA | 283.95 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 264 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3398.97 |
| LogP ≤ 5 | 62.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |