C185H125N15O2SSi4 — CID 161061115
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzothiazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzoxazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;dibenzofuran-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane (PubChem CID 161061115) has the molecular formula C185H125N15O2SSi4 and a molecular weight of 2734.55 g/mol. Its IUPAC name is [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzothiazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzoxazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;dibenzofuran-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane.
| Compound Name | [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzothiazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzoxazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;dibenzofuran-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane |
|---|---|
| PubChem CID | 161061115 |
| Molecular Formula | C185H125N15O2SSi4 |
| Molecular Weight | 2734.55 g/mol |
| Exact Mass | 2731.89 |
| IUPAC Name | [3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzothiazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;benzimidazolo[2,1-b][1,3]benzoxazol-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane;dibenzofuran-4-yl-(3-indolo[1,2-a]benzimidazol-10-ylphenyl)-diphenylsilane |
| SMILES | c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5cc34)c2)c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5cc34)c2)c2cccc3c2oc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5cc34)c2)c2cccc3c2oc2nc4ccccc4n23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5cc34)c2)c2cccc3c2sc2nc4ccccc4n23)cc1 |
| InChI | InChI=1S/C51H35N5Si.C45H30N4OSi.C45H30N4SSi.C44H30N2OSi/c1-3-20-39(21-4-1)57(40-22-5-2-6-23-40,41-24-15-18-37(34-41)53-46-29-11-13-31-48(46)55-44-27-9-7-17-36(44)33-50(53)55)42-25-16-19-38(35-42)54-47-30-12-14-32-49(47)56-45-28-10-8-26-43(45)52-51(54)56;2*1-3-17-33(18-4-1)51(34-19-5-2-6-20-34,42-28-14-27-41-44(42)50-45-46-36-22-8-10-24-38(36)49(41)45)35-21-13-16-32(30-35)47-39-25-11-12-26-40(39)48-37-23-9-7-15-31(37)29-43(47)48;1-3-17-33(18-4-1)48(34-19-5-2-6-20-34,42-28-14-23-37-36-22-8-12-27-41(36)47-44(37)42)35-21-13-16-32(30-35)45-39-25-10-11-26-40(39)46-38-24-9-7-15-31(38)29-43(45)46/h1-35H;2*1-30H;1-30H |
| InChIKey | UDKFIFBHQKCKOJ-UHFFFAOYSA-N |
| XLogP | 33.86 |
| TPSA | 120.47 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2734.55 |
| LogP ≤ 5 | 33.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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