C193H139N19 — CID 158955191
9-(4,6-diphenyl-2-pyridinyl)-2-ethyl-4-phenyl-1,10-phenanthroline;9-[3-[4-[2-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-2,4-di(propan-2-yl)-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline (PubChem CID 158955191) has the molecular formula C193H139N19 and a molecular weight of 2724.37 g/mol. Its IUPAC name is 9-(4,6-diphenyl-2-pyridinyl)-2-ethyl-4-phenyl-1,10-phenanthroline;9-[3-[4-[2-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-2,4-di(propan-2-yl)-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline.
| Compound Name | 9-(4,6-diphenyl-2-pyridinyl)-2-ethyl-4-phenyl-1,10-phenanthroline;9-[3-[4-[2-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-2,4-di(propan-2-yl)-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline |
|---|---|
| PubChem CID | 158955191 |
| Molecular Formula | C193H139N19 |
| Molecular Weight | 2724.37 g/mol |
| Exact Mass | 2722.15 |
| IUPAC Name | 9-(4,6-diphenyl-2-pyridinyl)-2-ethyl-4-phenyl-1,10-phenanthroline;9-[3-[4-[2-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-2,4-di(propan-2-yl)-1,10-phenanthroline;9-[3-[4-[4-(3-isoquinolin-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-2,4-dimethyl-1,10-phenanthroline |
| SMILES | CC(C)c1cc(C(C)C)c2ccc3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)cc(-c7cccc(-c8cncc9ccccc89)c7)n6)cc5)c4)nc3c2n1.CCc1cc(-c2ccccc2)c2ccc3ccc(-c4cc(-c5ccccc5)cc(-c5ccccc5)n4)nc3c2n1.Cc1cc(C)c2ccc3ccc(-c4cccc(-c5ccc(-c6cc(-c7ccccc7)nc(-c7cccc(-c8cncc9ccccc89)c7)n6)cc5)c4)nc3c2n1.Cc1cc(C)c2ccc3ccc(-c4cccc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cncc9ccccc89)c7)n6)cc5)c4)nc3c2n1 |
| InChI | InChI=1S/C55H43N5.C51H35N5.C50H34N6.C37H27N3/c1-34(2)47-30-50(35(3)4)58-54-46(47)26-24-38-25-27-49(57-53(38)54)42-17-10-15-40(28-42)36-20-22-39(23-21-36)55-59-51(37-12-6-5-7-13-37)31-52(60-55)43-18-11-16-41(29-43)48-33-56-32-44-14-8-9-19-45(44)48;1-32-26-33(2)53-50-43(32)24-22-37-23-25-46(54-49(37)50)40-15-8-13-38(27-40)34-18-20-36(21-19-34)48-29-47(35-10-4-3-5-11-35)55-51(56-48)41-16-9-14-39(28-41)45-31-52-30-42-12-6-7-17-44(42)45;1-31-26-32(2)52-47-42(31)24-22-34-23-25-45(53-46(34)47)39-15-8-13-37(27-39)33-18-20-36(21-19-33)49-54-48(35-10-4-3-5-11-35)55-50(56-49)40-16-9-14-38(28-40)44-30-51-29-41-12-6-7-17-43(41)44;1-2-30-24-32(26-14-8-4-9-15-26)31-20-18-28-19-21-33(40-36(28)37(31)38-30)35-23-29(25-12-6-3-7-13-25)22-34(39-35)27-16-10-5-11-17-27/h5-35H,1-4H3;3-31H,1-2H3;3-30H,1-2H3;3-24H,2H2,1H3 |
| InChIKey | JLXKVDKYUUNEAS-UHFFFAOYSA-N |
| XLogP | 48.65 |
| TPSA | 244.91 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2724.37 |
| LogP ≤ 5 | 48.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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