C148H108N12O4 — CID 157199940
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one (PubChem CID 157199940) has the molecular formula C148H108N12O4 and a molecular weight of 2118.57 g/mol. Its IUPAC name is 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one.
| Compound Name | 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one |
|---|---|
| PubChem CID | 157199940 |
| Molecular Formula | C148H108N12O4 |
| Molecular Weight | 2118.57 g/mol |
| Exact Mass | 2116.86 |
| IUPAC Name | 2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one;3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,10-dimethylanthracen-9-one |
| SMILES | CC1(C)c2ccccc2C(=O)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc21.CC1(C)c2ccccc2C(=O)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc21 |
| InChI | InChI=1S/4C37H27N3O/c1-37(2)31-20-12-11-19-29(31)33(41)30-23-26(21-22-32(30)37)27-17-9-10-18-28(27)36-39-34(24-13-5-3-6-14-24)38-35(40-36)25-15-7-4-8-16-25;1-37(2)31-19-10-9-18-29(31)33(41)30-23-27(20-21-32(30)37)26-16-11-17-28(22-26)36-39-34(24-12-5-3-6-13-24)38-35(40-36)25-14-7-4-8-15-25;1-37(2)31-16-10-9-15-29(31)33(41)30-23-28(21-22-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26;1-37(2)31-16-10-9-15-29(31)33(41)30-22-21-28(23-32(30)37)24-17-19-27(20-18-24)36-39-34(25-11-5-3-6-12-25)38-35(40-36)26-13-7-4-8-14-26/h4*3-23H,1-2H3 |
| InChIKey | AQRJZMDAVWQRBU-UHFFFAOYSA-N |
| XLogP | 33.64 |
| TPSA | 222.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2118.57 |
| LogP ≤ 5 | 33.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |