C126H123FN8O8 — CID 159078700
2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine (PubChem CID 159078700) has the molecular formula C126H123FN8O8 and a molecular weight of 1896.42 g/mol. Its IUPAC name is 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine.
| Compound Name | 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine |
|---|---|
| PubChem CID | 159078700 |
| Molecular Formula | C126H123FN8O8 |
| Molecular Weight | 1896.42 g/mol |
| Exact Mass | 1894.94 |
| IUPAC Name | 2,7-bis(4-ethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-methoxyphenyl)-5,10-dimethylphenazine;8-(5-fluoro-4-methoxy-2-methylphenyl)-5,10-dimethyl-1-phenoxyphenazine;1-methyl-8-(2-methyl-4-phenoxyphenyl)-3-phenoxy-5,10-di(propan-2-yl)phenazine |
| SMILES | CCOc1ccc(-c2ccc3c(c2)N(CC)c2ccc(-c4ccc(OCC)cc4)cc2N3CC)cc1.COc1cc(C)c(-c2ccc3c(c2)N(C)c2c(Oc4ccccc4)cccc2N3C)cc1F.COc1ccc(-c2ccc3c(c2)N(C)c2ccc(-c4ccc(OC)cc4)cc2N3C)cc1.Cc1cc(Oc2ccccc2)ccc1-c1ccc2c(c1)N(C(C)C)c1c(C)cc(Oc3ccccc3)cc1N2C(C)C |
| InChI | InChI=1S/C38H38N2O2.C32H34N2O2.C28H25FN2O2.C28H26N2O2/c1-25(2)39-35-20-17-29(34-19-18-32(21-27(34)5)41-30-13-9-7-10-14-30)23-36(35)40(26(3)4)38-28(6)22-33(24-37(38)39)42-31-15-11-8-12-16-31;1-5-33-29-19-13-26(24-11-17-28(18-12-24)36-8-4)22-32(29)34(6-2)30-20-14-25(21-31(30)33)23-9-15-27(16-10-23)35-7-3;1-18-15-27(32-4)22(29)17-21(18)19-13-14-23-25(16-19)31(3)28-24(30(23)2)11-8-12-26(28)33-20-9-6-5-7-10-20;1-29-25-15-9-22(20-7-13-24(32-4)14-8-20)18-28(25)30(2)26-16-10-21(17-27(26)29)19-5-11-23(31-3)12-6-19/h7-26H,1-6H3;9-22H,5-8H2,1-4H3;5-17H,1-4H3;5-18H,1-4H3 |
| InChIKey | KAORFYYYIXQZAF-UHFFFAOYSA-N |
| XLogP | 33.75 |
| TPSA | 99.76 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1896.42 |
| LogP ≤ 5 | 33.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |