C225H248O12S8 — CID 161237542
4-tert-butyl-2-[3-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]butan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;bis(4-tert-butyl-2-[[(1R,2S)-2-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]cyclohexyl]sulfanylmethyl]-6-naphthalen-1-ylphenol);4-tert-butyl-2-[4-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]pentan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methoxy]ethoxymethyl]-6-phenylphenol (PubChem CID 161237542) has the molecular formula C225H248O12S8 and a molecular weight of 3400.98 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]butan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;bis(4-tert-butyl-2-[[(1R,2S)-2-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]cyclohexyl]sulfanylmethyl]-6-naphthalen-1-ylphenol);4-tert-butyl-2-[4-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]pentan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methoxy]ethoxymethyl]-6-phenylphenol.
| Compound Name | 4-tert-butyl-2-[3-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]butan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;bis(4-tert-butyl-2-[[(1R,2S)-2-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]cyclohexyl]sulfanylmethyl]-6-naphthalen-1-ylphenol);4-tert-butyl-2-[4-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]pentan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methoxy]ethoxymethyl]-6-phenylphenol |
|---|---|
| PubChem CID | 161237542 |
| Molecular Formula | C225H248O12S8 |
| Molecular Weight | 3400.98 g/mol |
| Exact Mass | 3397.66 |
| IUPAC Name | 4-tert-butyl-2-[3-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]butan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;bis(4-tert-butyl-2-[[(1R,2S)-2-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]cyclohexyl]sulfanylmethyl]-6-naphthalen-1-ylphenol);4-tert-butyl-2-[4-[(5-tert-butyl-2-hydroxy-3-naphthalen-1-ylphenyl)methylsulfanyl]pentan-2-ylsulfanylmethyl]-6-naphthalen-1-ylphenol;4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxy-3-phenylphenyl)methoxy]ethoxymethyl]-6-phenylphenol |
| SMILES | CC(C)(C)c1cc(COCCOCc2cc(C(C)(C)C)cc(-c3ccccc3)c2O)c(O)c(-c2ccccc2)c1.CC(C)(C)c1cc(CS[C@H]2CCCC[C@H]2SCc2cc(C(C)(C)C)cc(-c3cccc4ccccc34)c2O)c(O)c(-c2cccc3ccccc23)c1.CC(C)(C)c1cc(CS[C@H]2CCCC[C@H]2SCc2cc(C(C)(C)C)cc(-c3cccc4ccccc34)c2O)c(O)c(-c2cccc3ccccc23)c1.CC(CC(C)SCc1cc(C(C)(C)C)cc(-c2cccc3ccccc23)c1O)SCc1cc(C(C)(C)C)cc(-c2cccc3ccccc23)c1O.CC(SCc1cc(C(C)(C)C)cc(-c2cccc3ccccc23)c1O)C(C)SCc1cc(C(C)(C)C)cc(-c2cccc3ccccc23)c1O |
| InChI | InChI=1S/2C48H52O2S2.C47H52O2S2.C46H50O2S2.C36H42O4/c2*1-47(2,3)35-25-33(45(49)41(27-35)39-21-13-17-31-15-7-9-19-37(31)39)29-51-43-23-11-12-24-44(43)52-30-34-26-36(48(4,5)6)28-42(46(34)50)40-22-14-18-32-16-8-10-20-38(32)40;1-30(50-28-34-24-36(46(3,4)5)26-42(44(34)48)40-21-13-17-32-15-9-11-19-38(32)40)23-31(2)51-29-35-25-37(47(6,7)8)27-43(45(35)49)41-22-14-18-33-16-10-12-20-39(33)41;1-29(49-27-33-23-35(45(3,4)5)25-41(43(33)47)39-21-13-17-31-15-9-11-19-37(31)39)30(2)50-28-34-24-36(46(6,7)8)26-42(44(34)48)40-22-14-18-32-16-10-12-20-38(32)40;1-35(2,3)29-19-27(33(37)31(21-29)25-13-9-7-10-14-25)23-39-17-18-40-24-28-20-30(36(4,5)6)22-32(34(28)38)26-15-11-8-12-16-26/h2*7-10,13-22,25-28,43-44,49-50H,11-12,23-24,29-30H2,1-6H3;9-22,24-27,30-31,48-49H,23,28-29H2,1-8H3;9-26,29-30,47-48H,27-28H2,1-8H3;7-16,19-22,37-38H,17-18,23-24H2,1-6H3/t2*43-,44+;;; |
| InChIKey | UZONHWRXBYEYQS-DPZMNPPQSA-N |
| XLogP | 63.33 |
| TPSA | 220.76 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 245 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3400.98 |
| LogP ≤ 5 | 63.33 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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