C260H322F6N8O6 — CID 160803679
1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;9-(4-methoxyphenyl)carbazole;2-phenoxyethoxybenzene;9-phenylcarbazole;1-phenyl-2-(2-phenylphenyl)benzene;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene (PubChem CID 160803679) has the molecular formula C260H322F6N8O6 and a molecular weight of 3769.47 g/mol. Its IUPAC name is 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;9-(4-methoxyphenyl)carbazole;2-phenoxyethoxybenzene;9-phenylcarbazole;1-phenyl-2-(2-phenylphenyl)benzene;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene.
| Compound Name | 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;9-(4-methoxyphenyl)carbazole;2-phenoxyethoxybenzene;9-phenylcarbazole;1-phenyl-2-(2-phenylphenyl)benzene;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene |
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| PubChem CID | 160803679 |
| Molecular Formula | C260H322F6N8O6 |
| Molecular Weight | 3769.47 g/mol |
| Exact Mass | 3766.50 |
| IUPAC Name | 1,1'-biphenyl;dibenzofuran;1,3-diphenylbenzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]-4-methoxybenzene;9-(4-methoxyphenyl)carbazole;2-phenoxyethoxybenzene;9-phenylcarbazole;1-phenyl-2-(2-phenylphenyl)benzene;3-phenylpyridine;tris(pyridine);3-(3-pyridin-3-ylphenyl)pyridine;9,9'-spirobi[fluorene];toluene |
| SMILES | CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(-n2c3ccccc3c3ccccc32)cc1.COc1ccc(C(c2ccc(OC)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccccc1.c1ccc(-c2cccc(-c3ccccc3)c2)cc1.c1ccc(-c2ccccc2)cc1.c1ccc(-c2ccccc2-c2ccccc2-c2ccccc2)cc1.c1ccc(-c2cccnc2)cc1.c1ccc(-n2c3ccccc3c3ccccc32)cc1.c1ccc(OCCOc2ccccc2)cc1.c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.c1ccc2c(c1)oc1ccccc12.c1ccncc1.c1ccncc1.c1ccncc1.c1cncc(-c2cccc(-c3cccnc3)c2)c1 |
| InChI | InChI=1S/C25H16.C24H18.C19H15NO.C18H13N.C18H14.C17H14F6O2.C16H12N2.C14H14O2.C12H8O.C12H10.C11H9N.C7H8.3C5H5N.26C2H6/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)25(21)23-15-7-3-11-19(23)20-12-4-8-16-24(20)25;1-3-11-19(12-4-1)21-15-7-9-17-23(21)24-18-10-8-16-22(24)20-13-5-2-6-14-20;1-21-15-12-10-14(11-13-15)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;1-3-8-15(9-4-1)17-12-7-13-18(14-17)16-10-5-2-6-11-16;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;1-4-13(15-6-2-8-17-11-15)10-14(5-1)16-7-3-9-18-12-16;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;1-7-5-3-2-4-6-7;3*1-2-4-6-5-3-1;26*1-2/h1-16H;1-18H;2-13H,1H3;1-13H;1-14H;3-10H,1-2H3;1-12H;1-10H,11-12H2;1-8H;1-10H;1-9H;2-6H,1H3;3*1-5H;26*1-2H3 |
| InChIKey | SDKGZAHADXBDJU-UHFFFAOYSA-N |
| XLogP | 80.99 |
| TPSA | 146.49 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3769.47 |
| LogP ≤ 5 | 80.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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