C234H159N5S4Si4 — CID 159703445
[3-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-triphenylsilane;[3-(3-carbazol-9-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-[3-(3-carbazol-9-ylphenyl)phenyl]-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-dibenzothiophen-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]-triphenylsilane (PubChem CID 159703445) has the molecular formula C234H159N5S4Si4 and a molecular weight of 3281.49 g/mol. Its IUPAC name is [3-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-triphenylsilane;[3-(3-carbazol-9-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-[3-(3-carbazol-9-ylphenyl)phenyl]-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-dibenzothiophen-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]-triphenylsilane.
| Compound Name | [3-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-triphenylsilane;[3-(3-carbazol-9-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-[3-(3-carbazol-9-ylphenyl)phenyl]-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-dibenzothiophen-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]-triphenylsilane |
|---|---|
| PubChem CID | 159703445 |
| Molecular Formula | C234H159N5S4Si4 |
| Molecular Weight | 3281.49 g/mol |
| Exact Mass | 3278.06 |
| IUPAC Name | [3-(3-carbazol-9-ylcarbazol-9-yl)-5-(3-dibenzothiophen-4-ylphenyl)phenyl]-triphenylsilane;[3-(3-carbazol-9-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-[3-(3-carbazol-9-ylphenyl)phenyl]-5-dibenzothiophen-4-ylphenyl]-triphenylsilane;[3-dibenzothiophen-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]-triphenylsilane |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5cccc6c5sc5ccccc56)cc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)cc(-c3cccc4c3sc3ccccc34)c2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)cc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc(-c3cccc4c3sc3ccccc34)c2)cc1 |
| InChI | InChI=1S/C66H44N2SSi.C60H41NSSi.2C54H37NSSi/c1-4-22-50(23-5-1)70(51-24-6-2-7-25-51,52-26-8-3-9-27-52)53-42-47(45-20-18-21-46(40-45)54-32-19-33-59-58-31-13-17-37-65(58)69-66(54)59)41-49(43-53)68-63-36-16-12-30-57(63)60-44-48(38-39-64(60)68)67-61-34-14-10-28-55(61)56-29-11-15-35-62(56)67;1-4-23-48(24-5-1)63(49-25-6-2-7-26-49,50-27-8-3-9-28-50)51-40-45(38-46(41-51)52-32-18-33-56-55-31-12-15-36-59(55)62-60(52)56)43-20-16-19-42(37-43)44-21-17-22-47(39-44)61-57-34-13-10-29-53(57)54-30-11-14-35-58(54)61;1-5-18-41(19-6-1)55-51-30-15-13-26-47(51)50-37-38(32-33-52(50)55)39-34-40(46-28-17-29-49-48-27-14-16-31-53(48)56-54(46)49)36-45(35-39)57(42-20-7-2-8-21-42,43-22-9-3-10-23-43)44-24-11-4-12-25-44;1-4-20-42(21-5-1)57(43-22-6-2-7-23-43,44-24-8-3-9-25-44)45-36-39(34-40(37-45)46-29-17-30-50-49-28-12-15-33-53(49)56-54(46)50)38-18-16-19-41(35-38)55-51-31-13-10-26-47(51)48-27-11-14-32-52(48)55/h1-44H;1-41H;2*1-37H |
| InChIKey | MXXITRLFXKBBKE-UHFFFAOYSA-N |
| XLogP | 52.22 |
| TPSA | 24.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 247 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3281.49 |
| LogP ≤ 5 | 52.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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