C225H155N9OSSi4 — CID 163452118
[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane (PubChem CID 163452118) has the molecular formula C225H155N9OSSi4 and a molecular weight of 3145.19 g/mol. Its IUPAC name is [3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane.
| Compound Name | [3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane |
|---|---|
| PubChem CID | 163452118 |
| Molecular Formula | C225H155N9OSSi4 |
| Molecular Weight | 3145.19 g/mol |
| Exact Mass | 3142.12 |
| IUPAC Name | [3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-(3-carbazol-9-ylphenyl)-diphenylsilane;(3-carbazol-9-ylphenyl)-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenylsilane;(3-carbazol-9-ylphenyl)-diphenyl-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cccc(-n6c7ccccc7c7ccccc76)c5)c4)c3cc21.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6cccc(-n7c8ccccc8c8ccccc87)c6)c5)c4cc32)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4cc5c(cc43)sc3ccccc35)c2)cc1.c1ccc([Si](c2ccccc2)(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc(-n3c4ccccc4c4ccc5oc6ccccc6c5c43)c2)cc1 |
| InChI | InChI=1S/C60H41N3Si.C57H42N2Si.C54H36N2OSi.C54H36N2SSi/c1-4-20-42(21-5-1)61-57-36-16-12-32-51(57)53-40-54-52-33-13-17-37-58(52)63(60(54)41-59(53)61)44-23-19-29-48(39-44)64(45-24-6-2-7-25-45,46-26-8-3-9-27-46)47-28-18-22-43(38-47)62-55-34-14-10-30-49(55)50-31-11-15-35-56(50)62;1-57(2)51-31-13-9-27-45(51)49-37-50-48-30-12-16-34-55(48)59(56(50)38-52(49)57)40-20-18-26-44(36-40)60(41-21-5-3-6-22-41,42-23-7-4-8-24-42)43-25-17-19-39(35-43)58-53-32-14-10-28-46(53)47-29-11-15-33-54(47)58;1-3-19-39(20-4-1)58(40-21-5-2-6-22-40,41-23-15-17-37(35-41)55-48-29-11-7-25-43(48)44-26-8-12-30-49(44)55)42-24-16-18-38(36-42)56-50-31-13-9-27-45(50)46-33-34-52-53(54(46)56)47-28-10-14-32-51(47)57-52;1-3-19-39(20-4-1)58(40-21-5-2-6-22-40,41-23-15-17-37(33-41)55-49-29-11-7-25-43(49)44-26-8-12-30-50(44)55)42-24-16-18-38(34-42)56-51-31-13-9-27-45(51)47-35-48-46-28-10-14-32-53(46)57-54(48)36-52(47)56/h1-41H;3-38H,1-2H3;2*1-36H |
| InChIKey | BHLQODJSEHRKCL-UHFFFAOYSA-N |
| XLogP | 46.70 |
| TPSA | 57.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 240 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3145.19 |
| LogP ≤ 5 | 46.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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