C237H170N18Si5 — CID 158793277
(3-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;(4-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;N,N-diphenyl-3-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;(9-phenylcarbazol-3-yl)-bis(3-phenylphenyl)-(6-phenyl-3-pyridinyl)silane (PubChem CID 158793277) has the molecular formula C237H170N18Si5 and a molecular weight of 3410.52 g/mol. Its IUPAC name is (3-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;(4-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;N,N-diphenyl-3-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;(9-phenylcarbazol-3-yl)-bis(3-phenylphenyl)-(6-phenyl-3-pyridinyl)silane.
| Compound Name | (3-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;(4-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;N,N-diphenyl-3-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;(9-phenylcarbazol-3-yl)-bis(3-phenylphenyl)-(6-phenyl-3-pyridinyl)silane |
|---|---|
| PubChem CID | 158793277 |
| Molecular Formula | C237H170N18Si5 |
| Molecular Weight | 3410.52 g/mol |
| Exact Mass | 3407.27 |
| IUPAC Name | (3-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;(4-carbazol-9-ylphenyl)-(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilane;N,N-diphenyl-3-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;N,N-diphenyl-4-[(9-phenylcarbazol-3-yl)-dipyridin-3-ylsilyl]aniline;(9-phenylcarbazol-3-yl)-bis(3-phenylphenyl)-(6-phenyl-3-pyridinyl)silane |
| SMILES | c1ccc(-c2cccc([Si](c3ccc(-c4ccccc4)nc3)(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4ccc(-n5c6ccccc6c6ccccc65)cc4)(c4cccnc4)c4cccnc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc([Si](c4cccnc4)(c4cccnc4)c4cccc(-n5c6ccccc6c6ccccc65)c4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc([Si](c3cccnc3)(c3cccnc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2)cc1.c1ccc(N(c2ccccc2)c2cccc([Si](c3cccnc3)(c3cccnc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1 |
| InChI | InChI=1S/C53H38N2Si.2C46H32N4Si.2C46H34N4Si/c1-5-17-39(18-6-1)42-23-15-27-45(35-42)56(46-28-16-24-43(36-46)40-19-7-2-8-20-40,48-31-33-51(54-38-48)41-21-9-3-10-22-41)47-32-34-53-50(37-47)49-29-13-14-30-52(49)55(53)44-25-11-4-12-26-44;1-2-13-33(14-3-1)49-45-24-9-6-21-41(45)42-30-36(25-26-46(42)49)51(37-17-11-27-47-31-37,38-18-12-28-48-32-38)35-16-10-15-34(29-35)50-43-22-7-4-19-39(43)40-20-5-8-23-44(40)50;1-2-12-33(13-3-1)49-45-21-9-6-18-41(45)42-30-36(26-27-46(42)49)51(37-14-10-28-47-31-37,38-15-11-29-48-32-38)35-24-22-34(23-25-35)50-43-19-7-4-16-39(43)40-17-5-8-20-44(40)50;1-4-15-35(16-5-1)49(36-17-6-2-7-18-36)38-21-12-22-39(31-38)51(41-23-13-29-47-33-41,42-24-14-30-48-34-42)40-27-28-46-44(32-40)43-25-10-11-26-45(43)50(46)37-19-8-3-9-20-37;1-4-14-35(15-5-1)49(36-16-6-2-7-17-36)38-24-26-39(27-25-38)51(41-20-12-30-47-33-41,42-21-13-31-48-34-42)40-28-29-46-44(32-40)43-22-10-11-23-45(43)50(46)37-18-8-3-9-19-37/h1-38H;2*1-32H;2*1-34H |
| InChIKey | ISNWNHBGFLPUAD-UHFFFAOYSA-N |
| XLogP | 43.50 |
| TPSA | 157.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 260 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3410.52 |
| LogP ≤ 5 | 43.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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