C193H123N17OSSi4 — CID 162261222
9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile (PubChem CID 162261222) has the molecular formula C193H123N17OSSi4 and a molecular weight of 2840.64 g/mol. Its IUPAC name is 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile.
| Compound Name | 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile |
|---|---|
| PubChem CID | 162261222 |
| Molecular Formula | C193H123N17OSSi4 |
| Molecular Weight | 2840.64 g/mol |
| Exact Mass | 2837.89 |
| IUPAC Name | 9-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]-6-isocyanocarbazole-3-carbonitrile;9-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5,5-dimethylbenzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile;9-[5,5-dimethyl-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzo[b][1]benzosilol-8-yl]carbazole-3,6-dicarbonitrile |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4cc(-n6c7ccc(C#N)cc7c7cc(C#N)ccc76)ccc4[Si]5(C)C)c3cc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4c5sc6ccccc6c5ccc43)ccc21.C[Si]1(C)c2ccc(-n3c4ccc(C#N)cc4c4cc(C#N)ccc43)cc2-c2cc(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)ccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc2c(c1)-c1cc(-n3c4ccccc4c4c5oc6ccccc6c5ccc43)ccc1[Si]2(C)C |
| InChI | InChI=1S/C52H33N5Si.C49H34N4Si.C46H28N4OSi.C46H28N4SSi/c1-58(2)51-22-18-35(56-47-20-16-32(30-53)24-39(47)40-25-33(31-54)17-21-48(40)56)26-43(51)44-27-36(19-23-52(44)58)57-46-15-9-7-13-38(46)42-28-41-37-12-6-8-14-45(37)55(49(41)29-50(42)57)34-10-4-3-5-11-34;1-49(2)41-11-7-5-9-33(41)35-25-38-34-10-6-8-12-43(34)53(46(38)26-42(35)49)32-16-20-48-40(24-32)39-23-31(15-19-47(39)54(48,3)4)52-44-17-13-29(27-50)21-36(44)37-22-30(28-51)14-18-45(37)52;1-48-28-13-18-40-35(23-28)34-22-27(26-47)12-17-39(34)49(40)29-14-20-43-36(24-29)37-25-30(15-21-44(37)52(43,2)3)50-38-10-6-4-9-33(38)45-41(50)19-16-32-31-8-5-7-11-42(31)51-46(32)45;1-52(2)43-19-13-29(49-39-16-11-27(25-47)21-34(39)35-22-28(26-48)12-17-40(35)49)23-36(43)37-24-30(14-20-44(37)52)50-38-9-5-3-8-33(38)45-41(50)18-15-32-31-7-4-6-10-42(31)51-46(32)45/h3-29H,1-2H3;5-26H,1-4H3;4-25H,2-3H3;3-24H,1-2H3 |
| InChIKey | ZZGWQSZOQIXRAS-UHFFFAOYSA-N |
| XLogP | 44.06 |
| TPSA | 228.40 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2840.64 |
| LogP ≤ 5 | 44.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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