C181H138N12O4S2 — CID 159903097
2-dibenzofuran-1-ylpyridine;2-dibenzofuran-2-ylpyridine;2-dibenzofuran-3-ylpyridine;2-dibenzofuran-4-ylpyridine;2-dibenzothiophen-1-ylpyridine;2-dibenzothiophen-4-ylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;4-methyl-2,5-diphenylpyridine;9-(2-methylpropyl)-1-pyridin-2-ylcarbazole;9-(2-methylpropyl)-2-pyridin-2-ylcarbazole (PubChem CID 159903097) has the molecular formula C181H138N12O4S2 and a molecular weight of 2609.31 g/mol. Its IUPAC name is 2-dibenzofuran-1-ylpyridine;2-dibenzofuran-2-ylpyridine;2-dibenzofuran-3-ylpyridine;2-dibenzofuran-4-ylpyridine;2-dibenzothiophen-1-ylpyridine;2-dibenzothiophen-4-ylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;4-methyl-2,5-diphenylpyridine;9-(2-methylpropyl)-1-pyridin-2-ylcarbazole;9-(2-methylpropyl)-2-pyridin-2-ylcarbazole.
| Compound Name | 2-dibenzofuran-1-ylpyridine;2-dibenzofuran-2-ylpyridine;2-dibenzofuran-3-ylpyridine;2-dibenzofuran-4-ylpyridine;2-dibenzothiophen-1-ylpyridine;2-dibenzothiophen-4-ylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;4-methyl-2,5-diphenylpyridine;9-(2-methylpropyl)-1-pyridin-2-ylcarbazole;9-(2-methylpropyl)-2-pyridin-2-ylcarbazole |
|---|---|
| PubChem CID | 159903097 |
| Molecular Formula | C181H138N12O4S2 |
| Molecular Weight | 2609.31 g/mol |
| Exact Mass | 2607.04 |
| IUPAC Name | 2-dibenzofuran-1-ylpyridine;2-dibenzofuran-2-ylpyridine;2-dibenzofuran-3-ylpyridine;2-dibenzofuran-4-ylpyridine;2-dibenzothiophen-1-ylpyridine;2-dibenzothiophen-4-ylpyridine;5-(2,6-dimethylphenyl)-2-phenylpyridine;4-methyl-2,5-diphenylpyridine;9-(2-methylpropyl)-1-pyridin-2-ylcarbazole;9-(2-methylpropyl)-2-pyridin-2-ylcarbazole |
| SMILES | CC(C)Cn1c2ccccc2c2ccc(-c3ccccn3)cc21.CC(C)Cn1c2ccccc2c2cccc(-c3ccccn3)c21.Cc1cc(-c2ccccc2)ncc1-c1ccccc1.Cc1cccc(C)c1-c1ccc(-c2ccccc2)nc1.c1ccc(-c2ccc3c(c2)oc2ccccc23)nc1.c1ccc(-c2ccc3oc4ccccc4c3c2)nc1.c1ccc(-c2cccc3c2oc2ccccc23)nc1.c1ccc(-c2cccc3c2sc2ccccc23)nc1.c1ccc(-c2cccc3oc4ccccc4c23)nc1.c1ccc(-c2cccc3sc4ccccc4c23)nc1 |
| InChI | InChI=1S/2C21H20N2.C19H17N.C18H15N.4C17H11NO.2C17H11NS/c1-15(2)14-23-20-12-4-3-8-16(20)17-9-7-10-18(21(17)23)19-11-5-6-13-22-19;1-15(2)14-23-20-9-4-3-7-17(20)18-11-10-16(13-21(18)23)19-8-5-6-12-22-19;1-14-7-6-8-15(2)19(14)17-11-12-18(20-13-17)16-9-4-3-5-10-16;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-9-15-13(6-1)17-12(7-5-10-16(17)19-15)14-8-3-4-11-18-14;1-2-7-16-13(5-1)14-11-12(8-9-17(14)19-16)15-6-3-4-10-18-15;1-2-7-16-13(5-1)14-9-8-12(11-17(14)19-16)15-6-3-4-10-18-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-2-9-15-13(6-1)17-12(7-5-10-16(17)19-15)14-8-3-4-11-18-14/h2*3-13,15H,14H2,1-2H3;3-13H,1-2H3;2-13H,1H3;6*1-11H |
| InChIKey | NWFDTCUVJLRCTN-UHFFFAOYSA-N |
| XLogP | 49.61 |
| TPSA | 191.32 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 199 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2609.31 |
| LogP ≤ 5 | 49.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |