C136H118N8O9 — CID 158996178
1-benzyl-8-(2,6-diphenoxyphenyl)-5,10-dimethylphenazine;1-[8-(2,6-dimethoxyphenyl)-5,10-diethylphenazin-1-yl]ethanone;8-(2,6-diphenoxyphenyl)-5,10-dimethyl-1-phenylphenazine;3,5,10-trimethyl-1-phenoxy-8-(2-phenoxyphenyl)phenazine (PubChem CID 158996178) has the molecular formula C136H118N8O9 and a molecular weight of 2008.49 g/mol. Its IUPAC name is 1-benzyl-8-(2,6-diphenoxyphenyl)-5,10-dimethylphenazine;1-[8-(2,6-dimethoxyphenyl)-5,10-diethylphenazin-1-yl]ethanone;8-(2,6-diphenoxyphenyl)-5,10-dimethyl-1-phenylphenazine;3,5,10-trimethyl-1-phenoxy-8-(2-phenoxyphenyl)phenazine.
| Compound Name | 1-benzyl-8-(2,6-diphenoxyphenyl)-5,10-dimethylphenazine;1-[8-(2,6-dimethoxyphenyl)-5,10-diethylphenazin-1-yl]ethanone;8-(2,6-diphenoxyphenyl)-5,10-dimethyl-1-phenylphenazine;3,5,10-trimethyl-1-phenoxy-8-(2-phenoxyphenyl)phenazine |
|---|---|
| PubChem CID | 158996178 |
| Molecular Formula | C136H118N8O9 |
| Molecular Weight | 2008.49 g/mol |
| Exact Mass | 2006.90 |
| IUPAC Name | 1-benzyl-8-(2,6-diphenoxyphenyl)-5,10-dimethylphenazine;1-[8-(2,6-dimethoxyphenyl)-5,10-diethylphenazin-1-yl]ethanone;8-(2,6-diphenoxyphenyl)-5,10-dimethyl-1-phenylphenazine;3,5,10-trimethyl-1-phenoxy-8-(2-phenoxyphenyl)phenazine |
| SMILES | CCN1c2ccc(-c3c(OC)cccc3OC)cc2N(CC)c2c(C(C)=O)cccc21.CN1c2ccc(-c3c(Oc4ccccc4)cccc3Oc3ccccc3)cc2N(C)c2c(-c3ccccc3)cccc21.CN1c2ccc(-c3c(Oc4ccccc4)cccc3Oc3ccccc3)cc2N(C)c2c(Cc3ccccc3)cccc21.Cc1cc(Oc2ccccc2)c2c(c1)N(C)c1ccc(-c3ccccc3Oc3ccccc3)cc1N2C |
| InChI | InChI=1S/C39H32N2O2.C38H30N2O2.C33H28N2O2.C26H28N2O3/c1-40-33-25-24-29(27-35(33)41(2)39-30(16-12-21-34(39)40)26-28-14-6-3-7-15-28)38-36(42-31-17-8-4-9-18-31)22-13-23-37(38)43-32-19-10-5-11-20-32;1-39-32-25-24-28(26-34(32)40(2)38-31(20-12-21-33(38)39)27-14-6-3-7-15-27)37-35(41-29-16-8-4-9-17-29)22-13-23-36(37)42-30-18-10-5-11-19-30;1-23-20-30-33(32(21-23)37-26-14-8-5-9-15-26)35(3)29-22-24(18-19-28(29)34(30)2)27-16-10-11-17-31(27)36-25-12-6-4-7-13-25;1-6-27-20-15-14-18(25-23(30-4)12-9-13-24(25)31-5)16-22(20)28(7-2)26-19(17(3)29)10-8-11-21(26)27/h3-25,27H,26H2,1-2H3;3-26H,1-2H3;4-22H,1-3H3;8-16H,6-7H2,1-5H3 |
| InChIKey | JQTOJGYPROFBII-UHFFFAOYSA-N |
| XLogP | 36.13 |
| TPSA | 116.83 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 153 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2008.49 |
| LogP ≤ 5 | 36.13 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |