C198H277FN6O23S2 — CID 163951808
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate (PubChem CID 163951808) has the molecular formula C198H277FN6O23S2 and a molecular weight of 3192.54 g/mol. Its IUPAC name is 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate.
| Compound Name | 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate |
|---|---|
| PubChem CID | 163951808 |
| Molecular Formula | C198H277FN6O23S2 |
| Molecular Weight | 3192.54 g/mol |
| Exact Mass | 3190.01 |
| IUPAC Name | 3-(3,5-ditert-butyl-4-hydroxyphenyl)-N'-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyl]propanehydrazide;6-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]hexyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;2,6-ditert-butyl-4-[(4-methylsulfanyl-6-octylsulfanyl-1,3,5-triazin-2-yl)amino]phenol;2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]phenyl]naphthalene;tris[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]methyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate |
| SMILES | CC(C)(C)c1cc(CCC(=O)NNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OC(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)(OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)OC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(CCC(=O)OCCCCCCOC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.CCCCCCCCSc1nc(Nc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc(SC)n1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)c(F)c2)cc1 |
| InChI | InChI=1S/C69H100O12.C40H62O6.C34H52N2O4.C29H21F.C26H42N4OS2/c1-61(2,3)45-33-41(34-46(57(45)74)62(4,5)6)25-29-53(70)78-69(79-54(71)30-26-42-35-47(63(7,8)9)58(75)48(36-42)64(10,11)12,80-55(72)31-27-43-37-49(65(13,14)15)59(76)50(38-43)66(16,17)18)81-56(73)32-28-44-39-51(67(19,20)21)60(77)52(40-44)68(22,23)24;1-37(2,3)29-23-27(24-30(35(29)43)38(4,5)6)17-19-33(41)45-21-15-13-14-16-22-46-34(42)20-18-28-25-31(39(7,8)9)36(44)32(26-28)40(10,11)12;1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)13-15-27(37)35-36-28(38)16-14-22-19-25(33(7,8)9)30(40)26(20-22)34(10,11)12;1-20-6-8-22(9-7-20)27-16-17-28(29(30)19-27)24-13-10-23(11-14-24)26-15-12-21-4-2-3-5-25(21)18-26;1-9-10-11-12-13-14-15-33-24-29-22(28-23(30-24)32-8)27-18-16-19(25(2,3)4)21(31)20(17-18)26(5,6)7/h33-40,74-77H,25-32H2,1-24H3;23-26,43-44H,13-22H2,1-12H3;17-20,39-40H,13-16H2,1-12H3,(H,35,37)(H,36,38);2-19H,1H3;16-17,31H,9-15H2,1-8H3,(H,27,28,29,30) |
| InChIKey | RZYYNUJITAGLFK-UHFFFAOYSA-N |
| XLogP | 48.38 |
| TPSA | 448.77 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 49 |
| Heavy Atoms | 230 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3192.54 |
| LogP ≤ 5 | 48.38 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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