C195H138N12 — CID 162051775
2-[3-[3-(9,9-diethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[9-(4-methylphenyl)-9-phenylfluoren-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 162051775) has the molecular formula C195H138N12 and a molecular weight of 2649.33 g/mol. Its IUPAC name is 2-[3-[3-(9,9-diethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[9-(4-methylphenyl)-9-phenylfluoren-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[3-[3-(9,9-diethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[9-(4-methylphenyl)-9-phenylfluoren-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 162051775 |
| Molecular Formula | C195H138N12 |
| Molecular Weight | 2649.33 g/mol |
| Exact Mass | 2647.12 |
| IUPAC Name | 2-[3-[3-(9,9-diethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-(7,7-dimethylbenzo[c]fluoren-5-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[9-(4-methylphenyl)-9-phenylfluoren-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | CC1(C)c2ccccc2-c2c1cc(-c1cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c1)c1ccccc21.CCC1(CC)c2ccccc2-c2ccc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)c3)cc21.Cc1ccc(C2(c3ccccc3)c3ccccc3-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c4)c32)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)c3)n2)cc1 |
| InChI | InChI=1S/C53H37N3.C52H33N3.C46H33N3.C44H35N3/c1-36-30-32-44(33-31-36)53(43-24-9-4-10-25-43)48-29-12-11-26-46(48)47-28-15-27-45(49(47)53)41-22-13-20-39(34-41)40-21-14-23-42(35-40)52-55-50(37-16-5-2-6-17-37)54-51(56-52)38-18-7-3-8-19-38;1-3-16-34(17-4-1)49-53-50(35-18-5-2-6-19-35)55-51(54-49)39-23-14-21-37(33-39)36-20-13-22-38(32-36)40-27-15-28-44-43-26-9-12-31-47(43)52(48(40)44)45-29-10-7-24-41(45)42-25-8-11-30-46(42)52;1-46(2)40-26-12-11-25-38(40)42-37-24-10-9-23-36(37)39(29-41(42)46)34-21-13-19-32(27-34)33-20-14-22-35(28-33)45-48-43(30-15-5-3-6-16-30)47-44(49-45)31-17-7-4-8-18-31;1-3-44(4-2)39-24-12-11-23-37(39)38-26-25-35(29-40(38)44)33-20-13-19-32(27-33)34-21-14-22-36(28-34)43-46-41(30-15-7-5-8-16-30)45-42(47-43)31-17-9-6-10-18-31/h2-35H,1H3;1-33H;3-29H,1-2H3;5-29H,3-4H2,1-2H3 |
| InChIKey | YYQHNDURGVVULD-UHFFFAOYSA-N |
| XLogP | 48.39 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2649.33 |
| LogP ≤ 5 | 48.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |