C245H161N19OS3Si4 — CID 157309053
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-(2-dibenzofuran-4-ylphenyl)phenyl]-diphenylsilane (PubChem CID 157309053) has the molecular formula C245H161N19OS3Si4 and a molecular weight of 3595.66 g/mol. Its IUPAC name is [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-(2-dibenzofuran-4-ylphenyl)phenyl]-diphenylsilane.
| Compound Name | [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-(2-dibenzofuran-4-ylphenyl)phenyl]-diphenylsilane |
|---|---|
| PubChem CID | 157309053 |
| Molecular Formula | C245H161N19OS3Si4 |
| Molecular Weight | 3595.66 g/mol |
| Exact Mass | 3592.14 |
| IUPAC Name | [3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-6-yl]phenyl]-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-diphenylsilane;[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[2-(2-dibenzofuran-4-ylphenyl)phenyl]-diphenylsilane |
| SMILES | c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccc(-n5c6ccccc6n6c7ccccc7nc56)cc4n4c5ccccc5nc34)c2)c2ccccc2-c2ccccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5cc(-n6c7ccccc7n7c8ccccc8nc67)ccc5nc34)c2)c2ccccc2-c2ccccc2-c2cccc3c2sc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)c2ccccc2-c2ccccc2-c2cccc3c2oc2ccccc23)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4n4c5ccccc5nc34)c2)c2ccccc2-c2ccccc2-c2nccc3c2sc2ccccc23)cc1 |
| InChI | InChI=1S/2C68H44N6SSi.C55H37N3OSi.C54H36N4SSi/c1-3-22-47(23-4-1)76(48-24-5-2-6-25-48,65-40-18-10-30-53(65)50-27-7-8-28-51(50)54-31-20-32-55-52-29-9-17-39-64(52)75-66(54)55)49-26-19-21-45(43-49)71-62-42-41-46(44-63(62)74-59-36-14-12-34-57(59)70-68(71)74)72-60-37-15-16-38-61(60)73-58-35-13-11-33-56(58)69-67(72)73;1-3-22-47(23-4-1)76(48-24-5-2-6-25-48,65-40-18-10-30-53(65)50-27-7-8-28-51(50)54-31-20-32-55-52-29-9-17-39-64(52)75-66(54)55)49-26-19-21-45(43-49)71-60-36-14-16-38-62(60)74-63-44-46(41-42-57(63)70-68(71)74)72-59-35-13-15-37-61(59)73-58-34-12-11-33-56(58)69-67(72)73;1-3-20-39(21-4-1)60(40-22-5-2-6-23-40,41-24-17-19-38(37-41)57-50-33-13-14-34-51(50)58-49-32-12-11-31-48(49)56-55(57)58)53-36-16-10-28-45(53)42-25-7-8-26-43(42)46-29-18-30-47-44-27-9-15-35-52(44)59-54(46)47;1-3-19-38(20-4-1)60(39-21-5-2-6-22-39,40-23-17-18-37(36-40)57-48-30-13-14-31-49(48)58-47-29-12-11-28-46(47)56-54(57)58)51-33-16-10-26-43(51)41-24-7-8-27-44(41)52-53-45(34-35-55-52)42-25-9-15-32-50(42)59-53/h2*1-44H;1-37H;1-36H |
| InChIKey | BCVCRLSUUZWCDI-UHFFFAOYSA-N |
| XLogP | 50.46 |
| TPSA | 159.41 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 272 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3595.66 |
| LogP ≤ 5 | 50.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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