C184H120N16S8Si4 — CID 162121050
benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane (PubChem CID 162121050) has the molecular formula C184H120N16S8Si4 and a molecular weight of 2923.98 g/mol. Its IUPAC name is benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane.
| Compound Name | benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane |
|---|---|
| PubChem CID | 162121050 |
| Molecular Formula | C184H120N16S8Si4 |
| Molecular Weight | 2923.98 g/mol |
| Exact Mass | 2920.67 |
| IUPAC Name | benzimidazolo[2,1-b][1,3]benzothiazol-9-yl-[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)-diphenylsilane;bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane;bis[3-(8-methylbenzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane |
| SMILES | Cc1cc2nc3sc4ccccc4n3c2cc1-c1cccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-c3cc4c(cc3C)nc3sc5ccccc5n34)c2)c1.c1ccc([Si](c2ccccc2)(c2ccc3nc4sc5ccccc5n4c3c2)c2ccc3nc4sc5ccccc5n4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5sc6ccccc6n5c4c3)c2)c2ccc3nc4sc5ccccc5n4c3c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-c3ccc4nc5sc6ccccc6n5c4c3)c2)c2cccc(-c3ccc4nc5sc6ccccc6n5c4c3)c2)cc1 |
| InChI | InChI=1S/C52H36N4S2Si.C50H32N4S2Si.C44H28N4S2Si.C38H24N4S2Si/c1-33-27-43-47(55-45-23-9-11-25-49(45)57-51(55)53-43)31-41(33)35-15-13-21-39(29-35)59(37-17-5-3-6-18-37,38-19-7-4-8-20-38)40-22-14-16-36(30-40)42-32-48-44(28-34(42)2)54-52-56(48)46-24-10-12-26-50(46)58-52;1-3-15-37(16-4-1)57(38-17-5-2-6-18-38,39-19-11-13-33(29-39)35-25-27-41-45(31-35)53-43-21-7-9-23-47(43)55-49(53)51-41)40-20-12-14-34(30-40)36-26-28-42-46(32-36)54-44-22-8-10-24-48(44)56-50(54)52-42;1-3-13-31(14-4-1)51(32-15-5-2-6-16-32,34-23-25-36-40(28-34)48-38-19-8-10-21-42(38)50-44(48)46-36)33-17-11-12-29(26-33)30-22-24-35-39(27-30)47-37-18-7-9-20-41(37)49-43(47)45-35;1-3-11-25(12-4-1)45(26-13-5-2-6-14-26,27-19-21-29-33(23-27)41-31-15-7-9-17-35(31)43-37(41)39-29)28-20-22-30-34(24-28)42-32-16-8-10-18-36(32)44-38(42)40-30/h3-32H,1-2H3;1-32H;1-28H;1-24H |
| InChIKey | ZHKHNPVRAMKKEX-UHFFFAOYSA-N |
| XLogP | 37.33 |
| TPSA | 138.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 212 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2923.98 |
| LogP ≤ 5 | 37.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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