C269H258O4S2 — CID 163986490
1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] (PubChem CID 163986490) has the molecular formula C269H258O4S2 and a molecular weight of 3619.15 g/mol. Its IUPAC name is 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene].
| Compound Name | 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] |
|---|---|
| PubChem CID | 163986490 |
| Molecular Formula | C269H258O4S2 |
| Molecular Weight | 3619.15 g/mol |
| Exact Mass | 3615.94 |
| IUPAC Name | 1-tert-butyldibenzofuran;2-tert-butyldibenzofuran;3-tert-butyldibenzofuran;4-tert-butyldibenzofuran;3-tert-butyldibenzothiophene;4-tert-butyldibenzothiophene;2-tert-butyl-9,9-dimethylfluorene;3-tert-butyl-9,9-dimethylfluorene;4-tert-butyl-9,9-dimethylfluorene;1-tert-butyl-9,9'-spirobi[fluorene];2-tert-butyl-9,9'-spirobi[fluorene];3-tert-butyl-9,9'-spirobi[fluorene];4-tert-butyl-9,9'-spirobi[fluorene] |
| SMILES | CC(C)(C)c1ccc2c(c1)-c1ccccc1C2(C)C.CC(C)(C)c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1ccc2c(c1)oc1ccccc12.CC(C)(C)c1ccc2c(c1)sc1ccccc12.CC(C)(C)c1ccc2oc3ccccc3c2c1.CC(C)(C)c1cccc2c1-c1ccccc1C2(C)C.CC(C)(C)c1cccc2c1-c1ccccc1C21c2ccccc2-c2ccccc21.CC(C)(C)c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC(C)(C)c1cccc2c1oc1ccccc12.CC(C)(C)c1cccc2c1sc1ccccc12.CC(C)(C)c1cccc2oc3ccccc3c12 |
| InChI | InChI=1S/4C29H24.3C19H22.4C16H16O.2C16H16S/c1-28(2,3)26-18-10-14-22-21-13-6-9-17-25(21)29(27(22)26)23-15-7-4-11-19(23)20-12-5-8-16-24(20)29;1-28(2,3)25-17-10-18-26-27(25)21-13-6-9-16-24(21)29(26)22-14-7-4-11-19(22)20-12-5-8-15-23(20)29;1-28(2,3)19-16-17-27-23(18-19)22-12-6-9-15-26(22)29(27)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-28(2,3)19-16-17-23-22-12-6-9-15-26(22)29(27(23)18-19)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29;1-18(2,3)15-11-8-12-16-17(15)13-9-6-7-10-14(13)19(16,4)5;1-18(2,3)13-10-11-17-15(12-13)14-8-6-7-9-16(14)19(17,4)5;1-18(2,3)13-10-11-15-14-8-6-7-9-16(14)19(4,5)17(15)12-13;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)12-8-6-10-14-15(12)11-7-4-5-9-13(11)17-14;1-16(2,3)11-8-9-15-13(10-11)12-6-4-5-7-14(12)17-15;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11;1-16(2,3)13-9-6-8-12-11-7-4-5-10-14(11)17-15(12)13;1-16(2,3)11-8-9-13-12-6-4-5-7-14(12)17-15(13)10-11/h4*4-18H,1-3H3;3*6-12H,1-5H3;6*4-10H,1-3H3 |
| InChIKey | TWUVMNKRPAVJQC-UHFFFAOYSA-N |
| XLogP | 75.42 |
| TPSA | 52.56 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | |
| Heavy Atoms | 275 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3619.15 |
| LogP ≤ 5 | 75.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |