C146H128F36Si11 — CID 158550065
bis[3,6-bis[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl(3,3,3-trifluoropropyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane (PubChem CID 158550065) has the molecular formula C146H128F36Si11 and a molecular weight of 2875.50 g/mol. Its IUPAC name is bis[3,6-bis[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl(3,3,3-trifluoropropyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane.
| Compound Name | bis[3,6-bis[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl(3,3,3-trifluoropropyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane |
|---|---|
| PubChem CID | 158550065 |
| Molecular Formula | C146H128F36Si11 |
| Molecular Weight | 2875.50 g/mol |
| Exact Mass | 2872.69 |
| IUPAC Name | bis[3,6-bis[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl-(2,3,4,5,6-pentafluorophenyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane;bis[6-[dimethyl(3,3,3-trifluoropropyl)silyl]-3-methyl-9H-fluoren-1-yl]-dimethylsilane |
| SMILES | C[Si](C)(c1cc([Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc2c1Cc1ccc([Si](C)(C)c3c(F)c(F)c(F)c(F)c3F)cc1-2)c1cc([Si](C)(C)c2c(F)c(F)c(F)c(F)c2F)cc2c1Cc1ccc([Si](C)(C)c3c(F)c(F)c(F)c(F)c3F)cc1-2.Cc1cc2c(c([Si](C)(C)c3cc(C)cc4c3Cc3ccc([Si](C)(C)CCC(F)(F)F)cc3-4)c1)Cc1ccc([Si](C)(C)CCC(F)(F)F)cc1-2.Cc1cc2c(c([Si](C)(C)c3cc(C)cc4c3Cc3ccc([Si](C)(C)c5c(F)c(F)c(F)c(F)c5F)cc3-4)c1)Cc1ccc([Si](C)(C)c3c(F)c(F)c(F)c(F)c3F)cc1-2 |
| InChI | InChI=1S/C60H44F20Si5.C46H38F10Si3.C40H46F6Si3/c1-81(2,57-49(73)41(65)37(61)42(66)50(57)74)25-13-11-23-15-33-31(29(23)17-25)19-27(83(5,6)59-53(77)45(69)39(63)46(70)54(59)78)21-35(33)85(9,10)36-22-28(84(7,8)60-55(79)47(71)40(64)48(72)56(60)80)20-32-30-18-26(14-12-24(30)16-34(32)36)82(3,4)58-51(75)43(67)38(62)44(68)52(58)76;1-21-13-29-27-19-25(57(3,4)45-41(53)37(49)35(47)38(50)42(45)54)11-9-23(27)17-31(29)33(15-21)59(7,8)34-16-22(2)14-30-28-20-26(12-10-24(28)18-32(30)34)58(5,6)46-43(55)39(51)36(48)40(52)44(46)56;1-25-17-33-31-23-29(47(3,4)15-13-39(41,42)43)11-9-27(31)21-35(33)37(19-25)49(7,8)38-20-26(2)18-34-32-24-30(12-10-28(32)22-36(34)38)48(5,6)16-14-40(44,45)46/h11-14,17-22H,15-16H2,1-10H3;9-16,19-20H,17-18H2,1-8H3;9-12,17-20,23-24H,13-16,21-22H2,1-8H3 |
| InChIKey | HPPIMQJLSQXKCF-UHFFFAOYSA-N |
| XLogP | 31.03 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 24 |
| Heavy Atoms | 193 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2875.50 |
| LogP ≤ 5 | 31.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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