C185H227F2Hf2N3O8Zr-6 — CID 159130423
2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-fluoro-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-fluorophenol;carbanide;hafnium;zirconium (PubChem CID 159130423) has the molecular formula C185H227F2Hf2N3O8Zr-6 and a molecular weight of 3107.06 g/mol. Its IUPAC name is 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-fluoro-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-fluorophenol;carbanide;hafnium;zirconium.
| Compound Name | 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-fluoro-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-fluorophenol;carbanide;hafnium;zirconium |
|---|---|
| PubChem CID | 159130423 |
| Molecular Formula | C185H227F2Hf2N3O8Zr-6 |
| Molecular Weight | 3107.06 g/mol |
| Exact Mass | 3106.54 |
| IUPAC Name | 2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-4-methoxy-2-pyridinyl]-4-methylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-propan-2-ylphenyl]-2-pyridinyl]-4-propan-2-ylphenyl]-4-tert-butylphenol;2-(1-adamantyl)-6-[2-[6-[2-[3-(1-adamantyl)-5-fluoro-2-hydroxyphenyl]-5-propan-2-ylphenyl]-4-methoxy-2-pyridinyl]-4-propan-2-ylphenyl]-4-fluorophenol;carbanide;hafnium;zirconium |
| SMILES | CC(C)c1ccc(-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c(-c2cccc(-c3cc(C(C)C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.COc1cc(-c2cc(C(C)C)ccc2-c2cc(F)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C(C)C)ccc2-c2cc(F)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.COc1cc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)nc(-c2cc(C)ccc2-c2cc(C(C)(C)C)cc(C34CC5CC(CC(C5)C3)C4)c2O)c1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf].[Hf].[Zr] |
| InChI | InChI=1S/C63H77NO2.C60H71NO3.C56H61F2NO3.6CH3.2Hf.Zr/c1-36(2)44-14-16-48(52-26-46(60(5,6)7)28-54(58(52)65)62-30-38-18-39(31-62)20-40(19-38)32-62)50(24-44)56-12-11-13-57(64-56)51-25-45(37(3)4)15-17-49(51)53-27-47(61(8,9)10)29-55(59(53)66)63-33-41-21-42(34-63)23-43(22-41)35-63;1-34-10-12-45(49-22-42(57(3,4)5)24-51(55(49)62)59-28-36-16-37(29-59)18-38(17-36)30-59)47(14-34)53-26-44(64-9)27-54(61-53)48-15-35(2)11-13-46(48)50-23-43(58(6,7)8)25-52(56(50)63)60-31-39-19-40(32-60)21-41(20-39)33-60;1-30(2)38-6-8-43(47-18-40(57)20-49(53(47)60)55-24-32-10-33(25-55)12-34(11-32)26-55)45(16-38)51-22-42(62-5)23-52(59-51)46-17-39(31(3)4)7-9-44(46)48-19-41(58)21-50(54(48)61)56-27-35-13-36(28-56)15-37(14-35)29-56;;;;;;;;;/h11-17,24-29,36-43,65-66H,18-23,30-35H2,1-10H3;10-15,22-27,36-41,62-63H,16-21,28-33H2,1-9H3;6-9,16-23,30-37,60-61H,10-15,24-29H2,1-5H3;6*1H3;;;/q;;;6*-1;;; |
| InChIKey | RLEFXOCWLSWXPN-UHFFFAOYSA-N |
| XLogP | 49.58 |
| TPSA | 178.51 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 201 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3107.06 |
| LogP ≤ 5 | 49.58 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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