C248H156N12O7 — CID 158936996
2-(4-dibenzofuran-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzofuran-2-ylphenyl)-6-[4-[3-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 158936996) has the molecular formula C248H156N12O7 and a molecular weight of 3416.05 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzofuran-2-ylphenyl)-6-[4-[3-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine.
| Compound Name | 2-(4-dibenzofuran-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzofuran-2-ylphenyl)-6-[4-[3-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine |
|---|---|
| PubChem CID | 158936996 |
| Molecular Formula | C248H156N12O7 |
| Molecular Weight | 3416.05 g/mol |
| Exact Mass | 3413.22 |
| IUPAC Name | 2-(4-dibenzofuran-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzofuran-2-ylphenyl)-6-[4-[3-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc(-c4ccccn4)n3)c2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cc6ccccc6c6oc7ccccc7c56)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cc(-c6ccc7oc8ccccc8c7c6)cc(-c6ccc7oc8ccccc8c7c6)c5)c4)cc3)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)n2)cc1 |
| InChI | InChI=1S/C70H42N2O3.2C45H29N3O.2C44H28N2O/c1-2-11-47(12-3-1)70-71-62(42-63(72-70)46-27-23-44(24-28-46)50-29-32-67-59(39-50)56-15-4-7-18-64(56)73-67)45-25-21-43(22-26-45)48-13-10-14-49(35-48)53-36-54(51-30-33-68-60(40-51)57-16-5-8-19-65(57)74-68)38-55(37-53)52-31-34-69-61(41-52)58-17-6-9-20-66(58)75-69;1-3-11-30(12-4-1)35-25-36(31-13-5-2-6-14-31)27-37(26-35)45-47-41(29-42(48-45)40-16-9-10-24-46-40)33-20-18-32(19-21-33)34-22-23-44-39(28-34)38-15-7-8-17-43(38)49-44;1-3-9-30(10-4-1)32-15-21-35(22-16-32)43-46-44(36-23-17-33(18-24-36)31-11-5-2-6-12-31)48-45(47-43)37-25-19-34(20-26-37)38-27-28-42-40(29-38)39-13-7-8-14-41(39)49-42;1-3-11-29(12-4-1)30-19-23-32(24-20-30)39-28-40(46-44(45-39)34-13-5-2-6-14-34)33-25-21-31(22-26-33)38-27-35-15-7-8-16-36(35)43-42(38)37-17-9-10-18-41(37)47-43;1-3-9-29(10-4-1)30-15-19-33(20-16-30)39-28-40(46-44(45-39)35-12-5-2-6-13-35)34-21-17-31(18-22-34)36-24-25-41-38(27-36)43-37-14-8-7-11-32(37)23-26-42(43)47-41/h1-42H;2*1-29H;2*1-28H |
| InChIKey | JJTUBPCHKRCZKK-UHFFFAOYSA-N |
| XLogP | 66.79 |
| TPSA | 246.66 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 267 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3416.05 |
| LogP ≤ 5 | 66.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |