C274H170N18O6S — CID 163590638
3-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;4-phenyl-2-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;9-phenyl-3-[3-(6-phenyl-2-pyridinyl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(4-phenylquinazolin-2-yl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-1-yl]carbazole (PubChem CID 163590638) has the molecular formula C274H170N18O6S and a molecular weight of 3842.56 g/mol. Its IUPAC name is 3-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;4-phenyl-2-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;9-phenyl-3-[3-(6-phenyl-2-pyridinyl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(4-phenylquinazolin-2-yl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-1-yl]carbazole.
| Compound Name | 3-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;4-phenyl-2-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;9-phenyl-3-[3-(6-phenyl-2-pyridinyl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(4-phenylquinazolin-2-yl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-1-yl]carbazole |
|---|---|
| PubChem CID | 163590638 |
| Molecular Formula | C274H170N18O6S |
| Molecular Weight | 3842.56 g/mol |
| Exact Mass | 3839.33 |
| IUPAC Name | 3-[3-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole;4-phenyl-2-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;9-phenyl-3-[3-(6-phenyl-2-pyridinyl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(4-phenylquinazolin-2-yl)dibenzofuran-1-yl]carbazole;9-phenyl-3-[3-(2,4,6-triphenylpyrimidin-5-yl)dibenzofuran-1-yl]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)nc3c2sc2ccccc23)cc1.c1ccc(-c2nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/C52H33N3O.C46H27N3OS.C46H29N3O.C45H28N4O.C44H27N3O.C41H26N2O/c1-5-17-34(18-6-1)50-48(51(35-19-7-2-8-20-35)54-52(53-50)36-21-9-3-10-22-36)38-32-42(49-41-26-14-16-28-46(41)56-47(49)33-38)37-29-30-45-43(31-37)40-25-13-15-27-44(40)55(45)39-23-11-4-12-24-39;1-3-13-28(14-4-1)43-45-44(34-19-9-12-22-41(34)51-45)48-46(47-43)30-26-35(42-33-18-8-11-21-39(33)50-40(42)27-30)29-23-24-38-36(25-29)32-17-7-10-20-37(32)49(38)31-15-5-2-6-16-31;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)33-27-37(45-36-21-11-13-23-43(36)50-44(45)28-33)32-24-25-42-38(26-32)35-20-10-12-22-41(35)49(42)34-18-8-3-9-19-34;1-4-14-29(15-5-1)43-46-44(30-16-6-2-7-17-30)48-45(47-43)32-27-36(42-35-21-11-13-23-40(35)50-41(42)28-32)31-24-25-39-37(26-31)34-20-10-12-22-38(34)49(39)33-18-8-3-9-19-33;1-3-13-28(14-4-1)43-33-18-7-10-20-37(33)45-44(46-43)30-26-35(42-34-19-9-12-22-40(34)48-41(42)27-30)29-23-24-39-36(25-29)32-17-8-11-21-38(32)47(39)31-15-5-2-6-16-31;1-3-12-27(13-4-1)35-18-11-19-36(42-35)29-25-33(41-32-17-8-10-21-39(32)44-40(41)26-29)28-22-23-38-34(24-28)31-16-7-9-20-37(31)43(38)30-14-5-2-6-15-30/h1-33H;1-27H;1-29H;1-28H;1-27H;1-26H |
| InChIKey | GPGNAAAOFVYTNF-UHFFFAOYSA-N |
| XLogP | 73.03 |
| TPSA | 263.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 299 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3842.56 |
| LogP ≤ 5 | 73.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 25 |