C126H132N8O9 — CID 161058449
8-(2,6-diphenoxyphenyl)-3-methoxy-1,5,10-trimethylphenazine;8-(2,6-diphenoxyphenyl)-1,5,10-trimethylphenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1-methyl-5,10-di(propan-2-yl)phenazine (PubChem CID 161058449) has the molecular formula C126H132N8O9 and a molecular weight of 1902.49 g/mol. Its IUPAC name is 8-(2,6-diphenoxyphenyl)-3-methoxy-1,5,10-trimethylphenazine;8-(2,6-diphenoxyphenyl)-1,5,10-trimethylphenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1-methyl-5,10-di(propan-2-yl)phenazine.
| Compound Name | 8-(2,6-diphenoxyphenyl)-3-methoxy-1,5,10-trimethylphenazine;8-(2,6-diphenoxyphenyl)-1,5,10-trimethylphenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1-methyl-5,10-di(propan-2-yl)phenazine |
|---|---|
| PubChem CID | 161058449 |
| Molecular Formula | C126H132N8O9 |
| Molecular Weight | 1902.49 g/mol |
| Exact Mass | 1901.01 |
| IUPAC Name | 8-(2,6-diphenoxyphenyl)-3-methoxy-1,5,10-trimethylphenazine;8-(2,6-diphenoxyphenyl)-1,5,10-trimethylphenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1,4-dimethyl-5,10-di(propan-2-yl)phenazine;7-(2-methoxy-6-propan-2-yloxyphenyl)-1-methyl-5,10-di(propan-2-yl)phenazine |
| SMILES | COc1cc(C)c2c(c1)N(C)c1ccc(-c3c(Oc4ccccc4)cccc3Oc3ccccc3)cc1N2C.COc1cccc(OC(C)C)c1-c1ccc2c(c1)N(C(C)C)c1c(C)ccc(C)c1N2C(C)C.COc1cccc(OC(C)C)c1-c1ccc2c(c1)N(C(C)C)c1cccc(C)c1N2C(C)C.Cc1cccc2c1N(C)c1cc(-c3c(Oc4ccccc4)cccc3Oc3ccccc3)ccc1N2C |
| InChI | InChI=1S/C34H30N2O3.C33H28N2O2.C30H38N2O2.C29H36N2O2/c1-23-20-27(37-4)22-30-34(23)36(3)29-21-24(18-19-28(29)35(30)2)33-31(38-25-12-7-5-8-13-25)16-11-17-32(33)39-26-14-9-6-10-15-26;1-23-12-10-17-28-33(23)35(3)29-22-24(20-21-27(29)34(28)2)32-30(36-25-13-6-4-7-14-25)18-11-19-31(32)37-26-15-8-5-9-16-26;1-18(2)31-24-16-15-23(28-26(33-9)11-10-12-27(28)34-20(5)6)17-25(24)32(19(3)4)30-22(8)14-13-21(7)29(30)31;1-18(2)30-24-12-9-11-21(7)29(24)31(19(3)4)23-16-15-22(17-25(23)30)28-26(32-8)13-10-14-27(28)33-20(5)6/h5-22H,1-4H3;4-22H,1-3H3;10-20H,1-9H3;9-20H,1-8H3 |
| InChIKey | UDBNLKKGLDIFFI-UHFFFAOYSA-N |
| XLogP | 34.24 |
| TPSA | 108.99 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 143 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1902.49 |
| LogP ≤ 5 | 34.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |