C195H189F3O15S — CID 160998890
bis[4-(4-methylphenoxy)phenyl]methanone;9,9-bis(4-methylphenyl)fluorene;1,4-ditert-butyl-2,5-bis(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;1,3,4-trimethyl-2,5-bis(4-methylphenoxy)benzene (PubChem CID 160998890) has the molecular formula C195H189F3O15S and a molecular weight of 2861.70 g/mol. Its IUPAC name is bis[4-(4-methylphenoxy)phenyl]methanone;9,9-bis(4-methylphenyl)fluorene;1,4-ditert-butyl-2,5-bis(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;1,3,4-trimethyl-2,5-bis(4-methylphenoxy)benzene.
| Compound Name | bis[4-(4-methylphenoxy)phenyl]methanone;9,9-bis(4-methylphenyl)fluorene;1,4-ditert-butyl-2,5-bis(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;1,3,4-trimethyl-2,5-bis(4-methylphenoxy)benzene |
|---|---|
| PubChem CID | 160998890 |
| Molecular Formula | C195H189F3O15S |
| Molecular Weight | 2861.70 g/mol |
| Exact Mass | 2859.37 |
| IUPAC Name | bis[4-(4-methylphenoxy)phenyl]methanone;9,9-bis(4-methylphenyl)fluorene;1,4-ditert-butyl-2,5-bis(4-methylphenoxy)benzene;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;2,3,7,8-tetramethyldibenzothiophene 5,5-dioxide;1,3,4-trimethyl-2,5-bis(4-methylphenoxy)benzene |
| SMILES | Cc1cc2c(cc1C)S(=O)(=O)c1cc(C)c(C)cc1-2.Cc1ccc(C2(c3ccc(C)cc3)c3ccccc3-c3ccccc32)cc1.Cc1ccc(OCCOc2ccc(C)cc2)cc1.Cc1ccc(Oc2cc(C(C)(C)C)c(Oc3ccc(C)cc3)cc2C(C)(C)C)cc1.Cc1ccc(Oc2cc(C)c(Oc3ccc(C)cc3)c(C)c2C)cc1.Cc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(c3ccc(Oc4ccc(C)cc4)cc3)C(F)(F)F)cc2)cc1 |
| InChI | InChI=1S/C29H25F3O2.C29H28O2.C28H34O2.C27H22O3.C27H22.C23H24O2.C16H16O2S.C16H18O2/c1-20-4-12-24(13-5-20)33-26-16-8-22(9-17-26)28(3,29(30,31)32)23-10-18-27(19-11-23)34-25-14-6-21(2)7-15-25;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-9-13-21(14-10-19)29-25-17-24(28(6,7)8)26(18-23(25)27(3,4)5)30-22-15-11-20(2)12-16-22;1-19-3-11-23(12-4-19)29-25-15-7-21(8-16-25)27(28)22-9-17-26(18-10-22)30-24-13-5-20(2)6-14-24;1-19-11-15-21(16-12-19)27(22-17-13-20(2)14-18-22)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-15-6-10-20(11-7-15)24-22-14-17(3)23(19(5)18(22)4)25-21-12-8-16(2)9-13-21;1-9-5-13-14-6-10(2)12(4)8-16(14)19(17,18)15(13)7-11(9)3;1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16/h4-19H,1-3H3;5-20H,1-4H3;9-18H,1-8H3;3-18H,1-2H3;3-18H,1-2H3;6-14H,1-5H3;5-8H,1-4H3;3-10H,11-12H2,1-2H3 |
| InChIKey | TVPILJKYFVZUAQ-UHFFFAOYSA-N |
| XLogP | 53.55 |
| TPSA | 161.97 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2861.70 |
| LogP ≤ 5 | 53.55 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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