C163H119N15O3Si4 — CID 161279212
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane (PubChem CID 161279212) has the molecular formula C163H119N15O3Si4 and a molecular weight of 2448.19 g/mol. Its IUPAC name is [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane.
| Compound Name | [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane |
|---|---|
| PubChem CID | 161279212 |
| Molecular Formula | C163H119N15O3Si4 |
| Molecular Weight | 2448.19 g/mol |
| Exact Mass | 2445.87 |
| IUPAC Name | [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-(9,9-dimethylxanthen-4-yl)-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-(10,10-dimethylbenzo[b][1,4]benzoxasilin-4-yl)-diphenylsilane |
| SMILES | CC1(C)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(-n2c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3n3c4ccccc4nc23)c1.CC1(C)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(-n2c3ccccc3n3c4cc(-n5c6ccccc6n6c7ccccc7nc56)ccc4nc23)c1.C[Si]1(C)c2ccccc2Oc2c1cccc2[Si](c1ccccc1)(c1ccccc1)c1cccc(-n2c3ccccc3n3c4ccccc4nc23)c1 |
| InChI | InChI=1S/2C59H42N6OSi.C45H35N3OSi2/c1-59(2)44-25-9-16-33-54(44)66-56-45(59)26-18-34-55(56)67(41-20-5-3-6-21-41,42-22-7-4-8-23-42)43-24-17-19-39(37-43)62-52-36-35-40(38-53(52)65-49-30-13-11-28-47(49)61-58(62)65)63-50-31-14-15-32-51(50)64-48-29-12-10-27-46(48)60-57(63)64;1-59(2)44-25-9-16-33-54(44)66-56-45(59)26-18-34-55(56)67(41-20-5-3-6-21-41,42-22-7-4-8-23-42)43-24-17-19-39(37-43)62-50-30-13-15-32-52(50)65-53-38-40(35-36-47(53)61-58(62)65)63-49-29-12-14-31-51(49)64-48-28-11-10-27-46(48)60-57(63)64;1-50(2)41-28-14-13-27-40(41)49-44-42(50)29-16-30-43(44)51(33-18-5-3-6-19-33,34-20-7-4-8-21-34)35-22-15-17-32(31-35)47-38-25-11-12-26-39(38)48-37-24-10-9-23-36(37)46-45(47)48/h2*3-38H,1-2H3;3-31H,1-2H3 |
| InChIKey | VEVUXWQPUWHXOZ-UHFFFAOYSA-N |
| XLogP | 28.71 |
| TPSA | 138.84 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 185 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2448.19 |
| LogP ≤ 5 | 28.71 |
| 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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