C232H232F10N12O12 — CID 159007202
2,7-bis(3,5-difluoro-2-methyl-4-phenylmethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)phenazine;2,7-bis(4-methoxy-2,5-dimethylphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis[4-methoxy-2-(trifluoromethyl)phenyl]-5,10-bis(2-methylpropyl)phenazine;2-(4-methoxy-2-methylphenyl)-7-(4-methoxynaphthalen-1-yl)-5,10-dimethylphenazine;2-(4-methoxy-2-propan-2-ylphenyl)-7-(2-methyl-4-phenoxyphenyl)-5,10-di(propan-2-yl)phenazine (PubChem CID 159007202) has the molecular formula C232H232F10N12O12 and a molecular weight of 3570.46 g/mol. Its IUPAC name is 2,7-bis(3,5-difluoro-2-methyl-4-phenylmethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)phenazine;2,7-bis(4-methoxy-2,5-dimethylphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis[4-methoxy-2-(trifluoromethyl)phenyl]-5,10-bis(2-methylpropyl)phenazine;2-(4-methoxy-2-methylphenyl)-7-(4-methoxynaphthalen-1-yl)-5,10-dimethylphenazine;2-(4-methoxy-2-propan-2-ylphenyl)-7-(2-methyl-4-phenoxyphenyl)-5,10-di(propan-2-yl)phenazine.
| Compound Name | 2,7-bis(3,5-difluoro-2-methyl-4-phenylmethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)phenazine;2,7-bis(4-methoxy-2,5-dimethylphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis[4-methoxy-2-(trifluoromethyl)phenyl]-5,10-bis(2-methylpropyl)phenazine;2-(4-methoxy-2-methylphenyl)-7-(4-methoxynaphthalen-1-yl)-5,10-dimethylphenazine;2-(4-methoxy-2-propan-2-ylphenyl)-7-(2-methyl-4-phenoxyphenyl)-5,10-di(propan-2-yl)phenazine |
|---|---|
| PubChem CID | 159007202 |
| Molecular Formula | C232H232F10N12O12 |
| Molecular Weight | 3570.46 g/mol |
| Exact Mass | 3567.78 |
| IUPAC Name | 2,7-bis(3,5-difluoro-2-methyl-4-phenylmethoxyphenyl)-5,10-diethylphenazine;2,7-bis(4-ethoxynaphthalen-1-yl)-5,10-di(propan-2-yl)phenazine;2,7-bis(4-methoxy-2,5-dimethylphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis[4-methoxy-2-(trifluoromethyl)phenyl]-5,10-bis(2-methylpropyl)phenazine;2-(4-methoxy-2-methylphenyl)-7-(4-methoxynaphthalen-1-yl)-5,10-dimethylphenazine;2-(4-methoxy-2-propan-2-ylphenyl)-7-(2-methyl-4-phenoxyphenyl)-5,10-di(propan-2-yl)phenazine |
| SMILES | CCN1c2ccc(-c3cc(F)c(OCc4ccccc4)c(F)c3C)cc2N(CC)c2ccc(-c3cc(F)c(OCc4ccccc4)c(F)c3C)cc21.CCOc1ccc(-c2ccc3c(c2)N(C(C)C)c2ccc(-c4ccc(OCC)c5ccccc45)cc2N3C(C)C)c2ccccc12.COc1cc(C)c(-c2ccc3c(c2)N(C(C)C)c2ccc(-c4cc(C)c(OC)cc4C)cc2N3C(C)C)cc1C.COc1ccc(-c2ccc3c(c2)N(C(C)C)c2ccc(-c4ccc(Oc5ccccc5)cc4C)cc2N3C(C)C)c(C(C)C)c1.COc1ccc(-c2ccc3c(c2)N(C)c2ccc(-c4ccc(OC)c5ccccc45)cc2N3C)c(C)c1.COc1ccc(-c2ccc3c(c2)N(CC(C)C)c2ccc(-c4ccc(OC)cc4C(F)(F)F)cc2N3CC(C)C)c(C(F)(F)F)c1 |
| InChI | InChI=1S/C44H38F4N2O2.C42H42N2O2.C41H44N2O2.C36H36F6N2O2.C36H42N2O2.C33H30N2O2/c1-5-49-37-19-17-32(34-24-36(46)44(42(48)28(34)4)52-26-30-15-11-8-12-16-30)22-40(37)50(6-2)38-20-18-31(21-39(38)49)33-23-35(45)43(41(47)27(33)3)51-25-29-13-9-7-10-14-29;1-7-45-41-23-19-31(33-13-9-11-15-35(33)41)29-17-21-37-39(25-29)43(27(3)4)38-22-18-30(26-40(38)44(37)28(5)6)32-20-24-42(46-8-2)36-16-12-10-14-34(32)36;1-26(2)37-25-33(44-8)16-19-36(37)31-15-21-39-41(24-31)43(28(5)6)38-20-14-30(23-40(38)42(39)27(3)4)35-18-17-34(22-29(35)7)45-32-12-10-9-11-13-32;1-21(2)19-43-31-13-7-24(28-12-10-26(46-6)18-30(28)36(40,41)42)16-34(31)44(20-22(3)4)32-14-8-23(15-33(32)43)27-11-9-25(45-5)17-29(27)35(37,38)39;1-21(2)37-31-13-11-28(30-16-26(8)36(40-10)18-24(30)6)20-34(31)38(22(3)4)32-14-12-27(19-33(32)37)29-15-25(7)35(39-9)17-23(29)5;1-21-18-24(36-4)12-13-25(21)22-10-15-29-31(19-22)34(2)30-16-11-23(20-32(30)35(29)3)26-14-17-33(37-5)28-9-7-6-8-27(26)28/h7-24H,5-6,25-26H2,1-4H3;9-28H,7-8H2,1-6H3;9-28H,1-8H3;7-18,21-22H,19-20H2,1-6H3;11-22H,1-10H3;6-20H,1-5H3 |
| InChIKey | JSBMHFJDPPYOTQ-UHFFFAOYSA-N |
| XLogP | 64.18 |
| TPSA | 149.64 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 266 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3570.46 |
| LogP ≤ 5 | 64.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |