C276H277F3N16O16 — CID 158117208
2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-methoxyphenyl)-5,10-dimethylphenazine;2,7-bis(2-methoxyphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2,7-bis(2-methoxyphenyl)phenazine;5,10-diethyl-2,7-bis(2-propan-2-yloxyphenyl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine (PubChem CID 158117208) has the molecular formula C276H277F3N16O16 and a molecular weight of 4131.34 g/mol. Its IUPAC name is 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-methoxyphenyl)-5,10-dimethylphenazine;2,7-bis(2-methoxyphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2,7-bis(2-methoxyphenyl)phenazine;5,10-diethyl-2,7-bis(2-propan-2-yloxyphenyl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine.
| Compound Name | 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-methoxyphenyl)-5,10-dimethylphenazine;2,7-bis(2-methoxyphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2,7-bis(2-methoxyphenyl)phenazine;5,10-diethyl-2,7-bis(2-propan-2-yloxyphenyl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine |
|---|---|
| PubChem CID | 158117208 |
| Molecular Formula | C276H277F3N16O16 |
| Molecular Weight | 4131.34 g/mol |
| Exact Mass | 4128.13 |
| IUPAC Name | 2,7-bis(2-butoxyphenyl)-5,10-dibutylphenazine;2,7-bis(2-methoxyphenyl)-5,10-dimethylphenazine;2,7-bis(2-methoxyphenyl)-5,10-di(propan-2-yl)phenazine;2,7-bis(2-phenylmethoxyphenyl)-5,10-di(propan-2-yl)phenazine;5,10-diethyl-2,7-bis(2-methoxyphenyl)phenazine;5,10-diethyl-2,7-bis(2-propan-2-yloxyphenyl)phenazine;5,10-diethyl-2-(2-methoxyphenyl)-7-[2-(trifluoromethoxy)phenyl]phenazine;5,10-dimethyl-2,7-bis(2-phenoxyphenyl)phenazine |
| SMILES | CC(C)N1c2ccc(-c3ccccc3OCc3ccccc3)cc2N(C(C)C)c2ccc(-c3ccccc3OCc3ccccc3)cc21.CCCCOc1ccccc1-c1ccc2c(c1)N(CCCC)c1ccc(-c3ccccc3OCCCC)cc1N2CCCC.CCN1c2ccc(-c3ccccc3OC(C)C)cc2N(CC)c2ccc(-c3ccccc3OC(C)C)cc21.CCN1c2ccc(-c3ccccc3OC(F)(F)F)cc2N(CC)c2ccc(-c3ccccc3OC)cc21.CCN1c2ccc(-c3ccccc3OC)cc2N(CC)c2ccc(-c3ccccc3OC)cc21.CN1c2ccc(-c3ccccc3Oc3ccccc3)cc2N(C)c2ccc(-c3ccccc3Oc3ccccc3)cc21.COc1ccccc1-c1ccc2c(c1)N(C(C)C)c1ccc(-c3ccccc3OC)cc1N2C(C)C.COc1ccccc1-c1ccc2c(c1)N(C)c1ccc(-c3ccccc3OC)cc1N2C |
| InChI | InChI=1S/C44H42N2O2.C40H50N2O2.C38H30N2O2.C34H38N2O2.C32H34N2O2.C30H27F3N2O2.C30H30N2O2.C28H26N2O2/c1-31(2)45-39-25-23-36(38-20-12-14-22-44(38)48-30-34-17-9-6-10-18-34)28-42(39)46(32(3)4)40-26-24-35(27-41(40)45)37-19-11-13-21-43(37)47-29-33-15-7-5-8-16-33;1-5-9-25-41-35-23-21-32(34-18-14-16-20-40(34)44-28-12-8-4)30-38(35)42(26-10-6-2)36-24-22-31(29-37(36)41)33-17-13-15-19-39(33)43-27-11-7-3;1-39-33-23-21-28(32-18-10-12-20-38(32)42-30-15-7-4-8-16-30)26-36(33)40(2)34-24-22-27(25-35(34)39)31-17-9-11-19-37(31)41-29-13-5-3-6-14-29;1-7-35-29-19-17-26(28-14-10-12-16-34(28)38-24(5)6)22-32(29)36(8-2)30-20-18-25(21-31(30)35)27-13-9-11-15-33(27)37-23(3)4;1-21(2)33-27-17-15-24(26-12-8-10-14-32(26)36-6)20-30(27)34(22(3)4)28-18-16-23(19-29(28)33)25-11-7-9-13-31(25)35-5;1-4-34-25-17-15-21(23-11-7-9-13-29(23)37-30(31,32)33)19-27(25)35(5-2)24-16-14-20(18-26(24)34)22-10-6-8-12-28(22)36-3;1-5-31-25-17-15-22(24-12-8-10-14-30(24)34-4)20-28(25)32(6-2)26-18-16-21(19-27(26)31)23-11-7-9-13-29(23)33-3;1-29-23-15-13-20(22-10-6-8-12-28(22)32-4)18-26(23)30(2)24-16-14-19(17-25(24)29)21-9-5-7-11-27(21)31-3/h5-28,31-32H,29-30H2,1-4H3;13-24,29-30H,5-12,25-28H2,1-4H3;3-26H,1-2H3;9-24H,7-8H2,1-6H3;7-22H,1-6H3;6-19H,4-5H2,1-3H3;7-20H,5-6H2,1-4H3;5-18H,1-4H3 |
| InChIKey | FRDTXORJWILBIQ-UHFFFAOYSA-N |
| XLogP | 74.39 |
| TPSA | 199.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 62 |
| Heavy Atoms | 311 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4131.34 |
| LogP ≤ 5 | 74.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|