C260H167N15 — CID 167644198
2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine (PubChem CID 167644198) has the molecular formula C260H167N15 and a molecular weight of 3501.30 g/mol. Its IUPAC name is 2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine.
| Compound Name | 2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine |
|---|---|
| PubChem CID | 167644198 |
| Molecular Formula | C260H167N15 |
| Molecular Weight | 3501.30 g/mol |
| Exact Mass | 3498.35 |
| IUPAC Name | 2,4-diphenyl-6-[3-(4-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine |
| SMILES | C1=CC2C(C=C1c1ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc1)c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)-c5ccccc5C65c6ccccc6-c6ccccc65)c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)n2)cc1 |
| InChI | InChI=1S/2C52H33N3.C52H35N3.2C52H33N3/c1-3-15-34(16-4-1)49-53-50(35-17-5-2-6-18-35)55-51(54-49)40-22-14-21-38(32-40)36-19-13-20-37(31-36)39-29-30-48-44(33-39)43-25-9-12-28-47(43)52(48)45-26-10-7-23-41(45)42-24-8-11-27-46(42)52;1-3-15-34(16-4-1)49-53-50(35-17-5-2-6-18-35)55-51(54-49)40-22-14-21-38(32-40)36-19-13-20-37(31-36)39-29-30-44-43-25-9-12-28-47(43)52(48(44)33-39)45-26-10-7-23-41(45)42-24-8-11-27-46(42)52;1-3-14-36(15-4-1)49-53-50(37-16-5-2-6-17-37)55-51(54-49)40-19-13-18-38(32-40)34-26-28-35(29-27-34)39-30-31-48-44(33-39)43-22-9-12-25-47(43)52(48)45-23-10-7-20-41(45)42-21-8-11-24-46(42)52;1-3-14-36(15-4-1)49-53-50(37-16-5-2-6-17-37)55-51(54-49)40-19-13-18-38(32-40)34-26-28-35(29-27-34)39-30-31-44-43-22-9-12-25-47(43)52(48(44)33-39)45-23-10-7-20-41(45)42-21-8-11-24-46(42)52;1-3-14-35(15-4-1)49-53-50(36-16-5-2-6-17-36)55-51(54-49)37-28-26-34(27-29-37)38-18-13-19-39(32-38)40-30-31-44-43-22-9-12-25-47(43)52(48(44)33-40)45-23-10-7-20-41(45)42-21-8-11-24-46(42)52/h2*1-33H;1-33,44,48H;2*1-33H |
| InChIKey | PPMITSRLBYVGSJ-UHFFFAOYSA-N |
| XLogP | 62.42 |
| TPSA | 193.35 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 275 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3501.30 |
| LogP ≤ 5 | 62.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |