C180H132N4O4 — CID 158658027
2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one (PubChem CID 158658027) has the molecular formula C180H132N4O4 and a molecular weight of 2415.06 g/mol. Its IUPAC name is 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one.
| Compound Name | 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one |
|---|---|
| PubChem CID | 158658027 |
| Molecular Formula | C180H132N4O4 |
| Molecular Weight | 2415.06 g/mol |
| Exact Mass | 2413.02 |
| IUPAC Name | 2-[2-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[2-[4-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one;2-[3-[2-(4,6-diphenyl-2-pyridinyl)phenyl]phenyl]-10,10-dimethylanthracen-9-one |
| SMILES | CC1(C)c2ccccc2C(=O)c2cc(-c3cccc(-c4ccccc4-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccccc3-c3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)cc3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccccc3-c3cccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)c3)ccc21.CC1(C)c2ccccc2C(=O)c2cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc(-c4ccccc4)n3)ccc21 |
| InChI | InChI=1S/4C45H33NO/c1-45(2)40-24-14-13-23-38(40)44(47)39-27-32(25-26-41(39)45)34-19-9-10-20-35(34)36-21-11-12-22-37(36)43-29-33(30-15-5-3-6-16-30)28-42(46-43)31-17-7-4-8-18-31;1-45(2)40-23-12-11-22-38(40)44(47)39-27-33(24-25-41(39)45)37-21-10-9-20-36(37)32-18-13-19-34(26-32)43-29-35(30-14-5-3-6-15-30)28-42(46-43)31-16-7-4-8-17-31;1-45(2)40-23-12-11-22-38(40)44(47)39-27-33(24-25-41(39)45)32-18-13-19-34(26-32)36-20-9-10-21-37(36)43-29-35(30-14-5-3-6-15-30)28-42(46-43)31-16-7-4-8-17-31;1-45(2)40-20-12-11-19-38(40)44(47)39-27-34(25-26-41(39)45)37-18-10-9-17-36(37)31-21-23-33(24-22-31)43-29-35(30-13-5-3-6-14-30)28-42(46-43)32-15-7-4-8-16-32/h4*3-29H,1-2H3 |
| InChIKey | ICJYGIREJCMMIU-UHFFFAOYSA-N |
| XLogP | 45.15 |
| TPSA | 119.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 188 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2415.06 |
| LogP ≤ 5 | 45.15 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |