C241H154N14O5 — CID 163934462
2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 163934462) has the molecular formula C241H154N14O5 and a molecular weight of 3325.98 g/mol. Its IUPAC name is 2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-yl]-1,3,5-triazine.
| Compound Name | 2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-yl]-1,3,5-triazine |
|---|---|
| PubChem CID | 163934462 |
| Molecular Formula | C241H154N14O5 |
| Molecular Weight | 3325.98 g/mol |
| Exact Mass | 3323.22 |
| IUPAC Name | 2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenylpyrimidine;2-[1-(9,9-dimethylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[1-(9,9-diphenylfluoren-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-3-yl]-1,3,5-triazine;2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-3-yl]-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc4oc5ccccc5c34)ccc21.CC1(C)c2ccccc2-c2cc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc4oc5ccccc5c34)ccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)c4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cc(-c4cccc5c4C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c4c(c3)oc3ccccc34)n2)cc1 |
| InChI | InChI=1S/2C52H31N3O.C52H33N3O.C43H30N2O.C42H29N3O/c1-3-16-32(17-4-1)49-53-50(33-18-5-2-6-19-33)55-51(54-49)34-30-41(47-40-23-10-14-29-45(40)56-46(47)31-34)39-25-15-24-38-37-22-9-13-28-44(37)52(48(38)39)42-26-11-7-20-35(42)36-21-8-12-27-43(36)52;1-3-15-32(16-4-1)49-53-50(33-17-5-2-6-18-33)55-51(54-49)35-30-40(48-39-22-10-14-26-46(39)56-47(48)31-35)34-27-28-45-41(29-34)38-21-9-13-25-44(38)52(45)42-23-11-7-19-36(42)37-20-8-12-24-43(37)52;1-5-17-34(18-6-1)49-53-50(35-19-7-2-8-20-35)55-51(54-49)37-32-42(48-41-26-14-16-28-46(41)56-47(48)33-37)36-29-30-45-43(31-36)40-25-13-15-27-44(40)52(45,38-21-9-3-10-22-38)39-23-11-4-12-24-39;1-43(2)35-19-11-9-17-31(35)34-23-29(21-22-36(34)43)33-24-30(25-40-41(33)32-18-10-12-20-39(32)46-40)42-44-37(27-13-5-3-6-14-27)26-38(45-42)28-15-7-4-8-16-28;1-42(2)34-19-11-9-17-30(34)33-23-28(21-22-35(33)42)32-24-29(25-37-38(32)31-18-10-12-20-36(31)46-37)41-44-39(26-13-5-3-6-14-26)43-40(45-41)27-15-7-4-8-16-27/h2*1-31H;1-33H;3-26H,1-2H3;3-25H,1-2H3 |
| InChIKey | RLNCBKMNHFSOKX-UHFFFAOYSA-N |
| XLogP | 60.46 |
| TPSA | 246.16 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 260 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3325.98 |
| LogP ≤ 5 | 60.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |