C240H144O8S8Si4 — CID 157266502
bis(6-dibenzofuran-4-yldibenzofuran-4-yl)-diphenylsilane;bis(8-dibenzofuran-2-yldibenzofuran-4-yl)-diphenylsilane;bis(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane;bis(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane (PubChem CID 157266502) has the molecular formula C240H144O8S8Si4 and a molecular weight of 3524.66 g/mol. Its IUPAC name is bis(6-dibenzofuran-4-yldibenzofuran-4-yl)-diphenylsilane;bis(8-dibenzofuran-2-yldibenzofuran-4-yl)-diphenylsilane;bis(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane;bis(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane.
| Compound Name | bis(6-dibenzofuran-4-yldibenzofuran-4-yl)-diphenylsilane;bis(8-dibenzofuran-2-yldibenzofuran-4-yl)-diphenylsilane;bis(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane;bis(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane |
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| PubChem CID | 157266502 |
| Molecular Formula | C240H144O8S8Si4 |
| Molecular Weight | 3524.66 g/mol |
| Exact Mass | 3520.77 |
| IUPAC Name | bis(6-dibenzofuran-4-yldibenzofuran-4-yl)-diphenylsilane;bis(8-dibenzofuran-2-yldibenzofuran-4-yl)-diphenylsilane;bis(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane;bis(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-diphenylsilane |
| SMILES | c1ccc([Si](c2ccccc2)(c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)c2cccc3c2oc2c(-c4cccc5c4oc4ccccc45)cccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc3c2oc2ccc(-c4ccc5oc6ccccc6c5c4)cc23)c2cccc3c2oc2ccc(-c4ccc5oc6ccccc6c5c4)cc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)c2cccc3c2sc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc3c2sc2ccc(-c4cccc5c4sc4ccccc45)cc23)c2cccc3c2sc2ccc(-c4cccc5c4sc4ccccc45)cc23)cc1 |
| InChI | InChI=1S/2C60H36O4Si.2C60H36S4Si/c1-3-17-37(18-4-1)65(38-19-5-2-6-20-38,53-35-15-31-49-47-29-13-27-45(57(47)63-59(49)53)43-25-11-23-41-39-21-7-9-33-51(39)61-55(41)43)54-36-16-32-50-48-30-14-28-46(58(48)64-60(50)54)44-26-12-24-42-40-22-8-10-34-52(40)62-56(42)44;1-3-13-41(14-4-1)65(42-15-5-2-6-16-42,57-23-11-19-45-49-35-39(27-31-55(49)63-59(45)57)37-25-29-53-47(33-37)43-17-7-9-21-51(43)61-53)58-24-12-20-46-50-36-40(28-32-56(50)64-60(46)58)38-26-30-54-48(34-38)44-18-8-10-22-52(44)62-54;1-3-17-37(18-4-1)65(38-19-5-2-6-20-38,53-35-15-31-49-47-29-13-27-45(57(47)63-59(49)53)43-25-11-23-41-39-21-7-9-33-51(39)61-55(41)43)54-36-16-32-50-48-30-14-28-46(58(48)64-60(50)54)44-26-12-24-42-40-22-8-10-34-52(40)62-56(42)44;1-3-15-39(16-4-1)65(40-17-5-2-6-18-40,55-29-13-25-47-49-35-37(31-33-53(49)63-59(47)55)41-21-11-23-45-43-19-7-9-27-51(43)61-57(41)45)56-30-14-26-48-50-36-38(32-34-54(50)64-60(48)56)42-22-12-24-46-44-20-8-10-28-52(44)62-58(42)46/h4*1-36H |
| InChIKey | AYBCJGRBUHMZNF-UHFFFAOYSA-N |
| XLogP | 59.73 |
| TPSA | 105.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 260 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3524.66 |
| LogP ≤ 5 | 59.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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