C197H243F6N9O11 — CID 159387907
1,1'-biphenyl;3,5-bis(3-methoxyphenyl)pyridine;dibenzofuran;1,2-dimethoxyethane;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;2-phenoxyethoxybenzene;3-(3-phenylphenyl)pyridine;3-phenylpyridine;pyridine;3-pyridin-3-ylpyridine (PubChem CID 159387907) has the molecular formula C197H243F6N9O11 and a molecular weight of 3027.15 g/mol. Its IUPAC name is 1,1'-biphenyl;3,5-bis(3-methoxyphenyl)pyridine;dibenzofuran;1,2-dimethoxyethane;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;2-phenoxyethoxybenzene;3-(3-phenylphenyl)pyridine;3-phenylpyridine;pyridine;3-pyridin-3-ylpyridine.
| Compound Name | 1,1'-biphenyl;3,5-bis(3-methoxyphenyl)pyridine;dibenzofuran;1,2-dimethoxyethane;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;2-phenoxyethoxybenzene;3-(3-phenylphenyl)pyridine;3-phenylpyridine;pyridine;3-pyridin-3-ylpyridine |
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| PubChem CID | 159387907 |
| Molecular Formula | C197H243F6N9O11 |
| Molecular Weight | 3027.15 g/mol |
| Exact Mass | 3024.86 |
| IUPAC Name | 1,1'-biphenyl;3,5-bis(3-methoxyphenyl)pyridine;dibenzofuran;1,2-dimethoxyethane;3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]pyridine;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;2-phenoxyethoxybenzene;3-(3-phenylphenyl)pyridine;3-phenylpyridine;pyridine;3-pyridin-3-ylpyridine |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COCCOC.COc1ccc(C(C)(C)c2ccc(OC)cc2)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.COc1cccc(-c2cncc(-c3cccc(OC)c3)c2)c1.c1ccc(-c2cccc(-c3cccnc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(OCCOc2ccccc2)cc1.c1ccc2c(c1)oc1ccccc12.c1ccncc1.c1cncc(-c2cccc(-c3cc(-c4cccnc4)cc(-c4cccnc4)c3)c2)c1.c1cncc(-c2cccnc2)c1 |
| InChI | InChI=1S/C27H19N3.C19H17NO2.C17H14F6O2.C17H13N.C17H20O2.C14H14O2.C12H8O.C12H10.C11H9N.C10H8N2.C5H5N.C4H10O2.16C2H6/c1-5-20(22-7-2-10-28-17-22)13-21(6-1)25-14-26(23-8-3-11-29-18-23)16-27(15-25)24-9-4-12-30-19-24;1-21-18-7-3-5-14(10-18)16-9-17(13-20-12-16)15-6-4-8-19(11-15)22-2;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;1-2-6-14(7-3-1)15-8-4-9-16(12-15)17-10-5-11-18-13-17;1-17(2,13-5-9-15(18-3)10-6-13)14-7-11-16(19-4)12-8-14;1-3-7-13(8-4-1)15-11-12-16-14-9-5-2-6-10-14;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-5-10(6-3-1)11-7-4-8-12-9-11;1-3-9(7-11-5-1)10-4-2-6-12-8-10;1-2-4-6-5-3-1;1-5-3-4-6-2;16*1-2/h1-19H;3-13H,1-2H3;3-10H,1-2H3;1-13H;5-12H,1-4H3;1-10H,11-12H2;1-8H;1-10H;1-9H;1-8H;1-5H;3-4H2,1-2H3;16*1-2H3 |
| InChIKey | LLSUSTPKLIRSFX-UHFFFAOYSA-N |
| XLogP | 57.29 |
| TPSA | 221.45 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 223 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3027.15 |
| LogP ≤ 5 | 57.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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