C180H119N9 — CID 157208810
2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 157208810) has the molecular formula C180H119N9 and a molecular weight of 2407.99 g/mol. Its IUPAC name is 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
| Compound Name | 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
|---|---|
| PubChem CID | 157208810 |
| Molecular Formula | C180H119N9 |
| Molecular Weight | 2407.99 g/mol |
| Exact Mass | 2405.96 |
| IUPAC Name | 2-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[4-(3-naphthalen-1-yl-9,9-diphenylfluoren-2-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc5c(cc4-c4cccc6ccccc46)-c4ccccc4C5(c4ccccc4)c4ccccc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5cc6c(cc5-c5cccc7ccccc57)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(-c5cc6c(cc5-c5cccc7ccccc57)-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)c3)n2)cc1 |
| InChI | InChI=1S/2C62H41N3.C56H37N3/c1-5-20-45(21-6-1)59-63-60(46-22-7-2-8-23-46)65-61(64-59)48-26-17-25-47(39-48)42-35-37-44(38-36-42)54-41-58-56(40-55(54)52-33-18-24-43-19-13-14-31-51(43)52)53-32-15-16-34-57(53)62(58,49-27-9-3-10-28-49)50-29-11-4-12-30-50;1-5-19-46(20-6-1)59-63-60(47-21-7-2-8-22-47)65-61(64-59)48-38-34-43(35-39-48)42-32-36-45(37-33-42)54-41-58-56(40-55(54)52-30-17-23-44-18-13-14-28-51(44)52)53-29-15-16-31-57(53)62(58,49-24-9-3-10-25-49)50-26-11-4-12-27-50;1-5-19-40(20-6-1)53-57-54(41-21-7-2-8-22-41)59-55(58-53)42-34-32-39(33-35-42)48-37-52-50(36-49(48)46-30-17-23-38-18-13-14-28-45(38)46)47-29-15-16-31-51(47)56(52,43-24-9-3-10-25-43)44-26-11-4-12-27-44/h2*1-41H;1-37H |
| InChIKey | ARQRBFNSYQKYMH-UHFFFAOYSA-N |
| XLogP | 44.50 |
| TPSA | 116.01 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 189 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2407.99 |
| LogP ≤ 5 | 44.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |