C189H180F6O21S2 — CID 157063516
3,3-bis(4-methoxyphenyl)-1,2-dihydroindene;1,1-bis(4-methoxyphenyl)-3,3-dimethyl-2H-indene;9,9-bis(4-methoxyphenyl)fluorene;3,3-bis(4-methoxyphenyl)-1-phenyl-1,2-dihydroindene;1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;4-(4-methoxyphenoxy)phenol (PubChem CID 157063516) has the molecular formula C189H180F6O21S2 and a molecular weight of 2965.62 g/mol. Its IUPAC name is 3,3-bis(4-methoxyphenyl)-1,2-dihydroindene;1,1-bis(4-methoxyphenyl)-3,3-dimethyl-2H-indene;9,9-bis(4-methoxyphenyl)fluorene;3,3-bis(4-methoxyphenyl)-1-phenyl-1,2-dihydroindene;1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;4-(4-methoxyphenoxy)phenol.
| Compound Name | 3,3-bis(4-methoxyphenyl)-1,2-dihydroindene;1,1-bis(4-methoxyphenyl)-3,3-dimethyl-2H-indene;9,9-bis(4-methoxyphenyl)fluorene;3,3-bis(4-methoxyphenyl)-1-phenyl-1,2-dihydroindene;1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;4-(4-methoxyphenoxy)phenol |
|---|---|
| PubChem CID | 157063516 |
| Molecular Formula | C189H180F6O21S2 |
| Molecular Weight | 2965.62 g/mol |
| Exact Mass | 2963.24 |
| IUPAC Name | 3,3-bis(4-methoxyphenyl)-1,2-dihydroindene;1,1-bis(4-methoxyphenyl)-3,3-dimethyl-2H-indene;9,9-bis(4-methoxyphenyl)fluorene;3,3-bis(4-methoxyphenyl)-1-phenyl-1,2-dihydroindene;1-[cyclohexyl-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-(4-methoxyphenyl)sulfanylbenzene;1-methoxy-4-(4-methoxyphenyl)sulfonylbenzene;4-(4-methoxyphenoxy)phenol |
| SMILES | COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C2CCCCC2)cc1.COc1ccc(C2(c3ccc(OC)cc3)CC(C)(C)c3ccccc32)cc1.COc1ccc(C2(c3ccc(OC)cc3)CC(c3ccccc3)c3ccccc32)cc1.COc1ccc(C2(c3ccc(OC)cc3)CCc3ccccc32)cc1.COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1.COc1ccc(Oc2ccc(O)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1.COc1ccc(Sc2ccc(OC)cc2)cc1 |
| InChI | InChI=1S/C29H26O2.C27H22O2.C27H30O2.C25H26O2.C23H22O2.C17H14F6O2.C14H14O4S.C14H14O2S.C13H12O3/c1-30-24-16-12-22(13-17-24)29(23-14-18-25(31-2)19-15-23)20-27(21-8-4-3-5-9-21)26-10-6-7-11-28(26)29;1-28-21-15-11-19(12-16-21)27(20-13-17-22(29-2)18-14-20)25-9-5-3-7-23(25)24-8-4-6-10-26(24)27;1-28-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21,22-11-7-4-8-12-22)24-15-19-26(29-2)20-16-24;1-24(2)17-25(23-8-6-5-7-22(23)24,18-9-13-20(26-3)14-10-18)19-11-15-21(27-4)16-12-19;1-24-20-11-7-18(8-12-20)23(19-9-13-21(25-2)14-10-19)16-15-17-5-3-4-6-22(17)23;1-24-13-7-3-11(4-8-13)15(16(18,19)20,17(21,22)23)12-5-9-14(25-2)10-6-12;1-17-11-3-7-13(8-4-11)19(15,16)14-9-5-12(18-2)6-10-14;1-15-11-3-7-13(8-4-11)17-14-9-5-12(16-2)6-10-14;1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h3-19,27H,20H2,1-2H3;3-18H,1-2H3;3,5-6,9-10,13-20,22H,4,7-8,11-12H2,1-2H3;5-16H,17H2,1-4H3;3-14H,15-16H2,1-2H3;3-10H,1-2H3;3-10H,1-2H3;3-10H,1-2H3;2-9,14H,1H3 |
| InChIKey | ABPHWFQTDMIXQH-UHFFFAOYSA-N |
| XLogP | 44.66 |
| TPSA | 220.51 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 218 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2965.62 |
| LogP ≤ 5 | 44.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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