C138H137F3N8O7 — CID 159337541
5,10-bis(2-methylpropyl)-2,7-bis(4-phenylmethoxyphenyl)phenazine;5,10-di(propan-2-yl)-2,7-bis(4-propan-2-yloxyphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-(4-methylphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-[4-(trifluoromethoxy)phenyl]phenazine (PubChem CID 159337541) has the molecular formula C138H137F3N8O7 and a molecular weight of 2076.66 g/mol. Its IUPAC name is 5,10-bis(2-methylpropyl)-2,7-bis(4-phenylmethoxyphenyl)phenazine;5,10-di(propan-2-yl)-2,7-bis(4-propan-2-yloxyphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-(4-methylphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-[4-(trifluoromethoxy)phenyl]phenazine.
| Compound Name | 5,10-bis(2-methylpropyl)-2,7-bis(4-phenylmethoxyphenyl)phenazine;5,10-di(propan-2-yl)-2,7-bis(4-propan-2-yloxyphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-(4-methylphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-[4-(trifluoromethoxy)phenyl]phenazine |
|---|---|
| PubChem CID | 159337541 |
| Molecular Formula | C138H137F3N8O7 |
| Molecular Weight | 2076.66 g/mol |
| Exact Mass | 2075.06 |
| IUPAC Name | 5,10-bis(2-methylpropyl)-2,7-bis(4-phenylmethoxyphenyl)phenazine;5,10-di(propan-2-yl)-2,7-bis(4-propan-2-yloxyphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-(4-methylphenyl)phenazine;2-(4-methoxyphenyl)-5,10-dimethyl-7-[4-(trifluoromethoxy)phenyl]phenazine |
| SMILES | CC(C)CN1c2ccc(-c3ccc(OCc4ccccc4)cc3)cc2N(CC(C)C)c2ccc(-c3ccc(OCc4ccccc4)cc3)cc21.CC(C)Oc1ccc(-c2ccc3c(c2)N(C(C)C)c2ccc(-c4ccc(OC(C)C)cc4)cc2N3C(C)C)cc1.COc1ccc(-c2ccc3c(c2)N(C)c2ccc(-c4ccc(C)cc4)cc2N3C)cc1.COc1ccc(-c2ccc3c(c2)N(C)c2ccc(-c4ccc(OC(F)(F)F)cc4)cc2N3C)cc1 |
| InChI | InChI=1S/C46H46N2O2.C36H42N2O2.C28H23F3N2O2.C28H26N2O/c1-33(2)29-47-43-25-19-40(38-17-23-42(24-18-38)50-32-36-13-9-6-10-14-36)28-46(43)48(30-34(3)4)44-26-20-39(27-45(44)47)37-15-21-41(22-16-37)49-31-35-11-7-5-8-12-35;1-23(2)37-33-19-13-30(28-11-17-32(18-12-28)40-26(7)8)22-36(33)38(24(3)4)34-20-14-29(21-35(34)37)27-9-15-31(16-10-27)39-25(5)6;1-32-25-15-9-21(19-6-12-23(13-7-19)35-28(29,30)31)17-27(25)33(2)24-14-8-20(16-26(24)32)18-4-10-22(34-3)11-5-18;1-19-5-7-20(8-6-19)22-11-15-25-27(17-22)29(2)26-16-12-23(18-28(26)30(25)3)21-9-13-24(31-4)14-10-21/h5-28,33-34H,29-32H2,1-4H3;9-26H,1-8H3;4-17H,1-3H3;5-18H,1-4H3 |
| InChIKey | LFSRIRVLCMONET-UHFFFAOYSA-N |
| XLogP | 37.05 |
| TPSA | 90.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2076.66 |
| LogP ≤ 5 | 37.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |