C230H165N13Si5 — CID 160984034
4-[(4-carbazol-9-ylphenyl)-phenyl-(9-phenylcarbazol-2-yl)silyl]benzonitrile;diphenyl-(9-phenylcarbazol-4-yl)-(4-phenylphenyl)silane;[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;(4-methylphenyl)-diphenyl-(9-phenylcarbazol-4-yl)silane (PubChem CID 160984034) has the molecular formula C230H165N13Si5 and a molecular weight of 3251.37 g/mol. Its IUPAC name is 4-[(4-carbazol-9-ylphenyl)-phenyl-(9-phenylcarbazol-2-yl)silyl]benzonitrile;diphenyl-(9-phenylcarbazol-4-yl)-(4-phenylphenyl)silane;[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;(4-methylphenyl)-diphenyl-(9-phenylcarbazol-4-yl)silane.
| Compound Name | 4-[(4-carbazol-9-ylphenyl)-phenyl-(9-phenylcarbazol-2-yl)silyl]benzonitrile;diphenyl-(9-phenylcarbazol-4-yl)-(4-phenylphenyl)silane;[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;(4-methylphenyl)-diphenyl-(9-phenylcarbazol-4-yl)silane |
|---|---|
| PubChem CID | 160984034 |
| Molecular Formula | C230H165N13Si5 |
| Molecular Weight | 3251.37 g/mol |
| Exact Mass | 3248.22 |
| IUPAC Name | 4-[(4-carbazol-9-ylphenyl)-phenyl-(9-phenylcarbazol-2-yl)silyl]benzonitrile;diphenyl-(9-phenylcarbazol-4-yl)-(4-phenylphenyl)silane;[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-diphenyl-(9-phenylcarbazol-2-yl)silane;(4-methylphenyl)-diphenyl-(9-phenylcarbazol-4-yl)silane |
| SMILES | Cc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2c2ccccc2n3-c2ccccc2)cc1.N#Cc1ccc([Si](c2ccccc2)(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3cccc4c3c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)n2)cc1 |
| InChI | InChI=1S/2C51H36N4Si.C49H33N3Si.C42H31NSi.C37H29NSi/c1-6-19-37(20-7-1)49-52-50(38-21-8-2-9-22-38)54-51(53-49)39-23-18-30-43(35-39)56(41-26-12-4-13-27-41,42-28-14-5-15-29-42)44-33-34-46-45-31-16-17-32-47(45)55(48(46)36-44)40-24-10-3-11-25-40;1-6-18-37(19-7-1)49-52-50(38-20-8-2-9-21-38)54-51(53-49)39-30-32-43(33-31-39)56(41-24-12-4-13-25-41,42-26-14-5-15-27-42)44-34-35-46-45-28-16-17-29-47(45)55(48(46)36-44)40-22-10-3-11-23-40;50-34-35-23-27-39(28-24-35)53(38-15-5-2-6-16-38,40-29-25-37(26-30-40)51-46-20-10-7-17-42(46)43-18-8-11-21-47(43)51)41-31-32-45-44-19-9-12-22-48(44)52(49(45)33-41)36-13-3-1-4-14-36;1-5-16-32(17-6-1)33-28-30-37(31-29-33)44(35-20-9-3-10-21-35,36-22-11-4-12-23-36)41-27-15-26-40-42(41)38-24-13-14-25-39(38)43(40)34-18-7-2-8-19-34;1-28-24-26-32(27-25-28)39(30-16-7-3-8-17-30,31-18-9-4-10-19-31)36-23-13-22-35-37(36)33-20-11-12-21-34(33)38(35)29-14-5-2-6-15-29/h2*1-36H;1-33H;1-31H;2-27H,1H3 |
| InChIKey | SZWPHOMJODQRTI-UHFFFAOYSA-N |
| XLogP | 42.12 |
| TPSA | 130.71 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 248 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3251.37 |
| LogP ≤ 5 | 42.12 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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