C225H155N9OSSi4 — CID 161147090
[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;diphenyl-(9-phenylcarbazol-1-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane (PubChem CID 161147090) has the molecular formula C225H155N9OSSi4 and a molecular weight of 3145.19 g/mol. Its IUPAC name is [3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;diphenyl-(9-phenylcarbazol-1-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane.
| Compound Name | [3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;diphenyl-(9-phenylcarbazol-1-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane |
|---|---|
| PubChem CID | 161147090 |
| Molecular Formula | C225H155N9OSSi4 |
| Molecular Weight | 3145.19 g/mol |
| Exact Mass | 3142.12 |
| IUPAC Name | [3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-([1]benzothiolo[2,3-b]carbazol-7-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-diphenyl-(9-phenylcarbazol-1-yl)silane;diphenyl-(9-phenylcarbazol-1-yl)-[3-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]silane |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cccc([Si](c5ccccc5)(c5ccccc5)c5cccc6c7ccccc7n(-c7ccccc7)c56)c4)c3cc21.c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5cccc([Si](c6ccccc6)(c6ccccc6)c6cccc7c8ccccc8n(-c8ccccc8)c67)c5)c4cc32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7c(cc65)oc5ccccc57)c4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc([Si](c4ccccc4)(c4ccccc4)c4cccc(-n5c6ccccc6c6cc7c(cc65)sc5ccccc57)c4)c32)cc1 |
| InChI | InChI=1S/C60H41N3Si.C57H42N2Si.C54H36N2OSi.C54H36N2SSi/c1-5-21-42(22-6-1)61-54-35-16-14-32-49(54)52-40-53-50-33-15-17-36-55(50)62(58(53)41-57(52)61)44-25-19-30-47(39-44)64(45-26-9-3-10-27-45,46-28-11-4-12-29-46)59-38-20-34-51-48-31-13-18-37-56(48)63(60(51)59)43-23-7-2-8-24-43;1-57(2)50-32-15-12-28-44(50)48-37-49-46-30-14-16-33-52(46)58(54(49)38-51(48)57)40-22-18-27-43(36-40)60(41-23-8-4-9-24-41,42-25-10-5-11-26-42)55-35-19-31-47-45-29-13-17-34-53(45)59(56(47)55)39-20-6-3-7-21-39;2*1-4-18-37(19-5-1)56-49-31-14-10-26-42(49)45-29-17-33-53(54(45)56)58(39-21-6-2-7-22-39,40-23-8-3-9-24-40)41-25-16-20-38(34-41)55-48-30-13-11-27-43(48)46-35-47-44-28-12-15-32-51(44)57-52(47)36-50(46)55/h1-41H;3-38H,1-2H3;2*1-36H |
| InChIKey | UOEVJWUTTFGPHU-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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