C234H168N6Si9 — CID 165021658
triphenyl-[4-[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[3-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[4-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane (PubChem CID 165021658) has the molecular formula C234H168N6Si9 and a molecular weight of 3316.73 g/mol. Its IUPAC name is triphenyl-[4-[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[3-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[4-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane.
| Compound Name | triphenyl-[4-[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[3-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[4-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane |
|---|---|
| PubChem CID | 165021658 |
| Molecular Formula | C234H168N6Si9 |
| Molecular Weight | 3316.73 g/mol |
| Exact Mass | 3313.13 |
| IUPAC Name | triphenyl-[4-[2-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[3-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane;triphenyl-[4-[4-[2-(5,10,10-triphenylsilanthren-5-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane |
| SMILES | c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccc([Si]7(c8ccccc8)c8ccccc8[Si](c8ccccc8)(c8ccccc8)c8ccccc87)cc65)cccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4cc(-n5c6ccccc6c6ccc([Si]7(c8ccccc8)c8ccccc8[Si](c8ccccc8)(c8ccccc8)c8ccccc87)cc65)ccc43)cc2)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccc([Si]7(c8ccccc8)c8ccccc8[Si](c8ccccc8)(c8ccccc8)c8ccccc87)cc65)cc43)cc2)cc1 |
| InChI | InChI=1S/3C78H56N2Si3/c1-7-28-58(29-8-1)81(59-30-9-2-10-31-59,60-32-11-3-12-33-60)64-52-50-57(51-53-64)79-70-43-22-20-41-68(70)78-71(79)44-27-45-72(78)80-69-42-21-19-40-66(69)67-55-54-65(56-73(67)80)83(63-38-17-6-18-39-63)76-48-25-23-46-74(76)82(61-34-13-4-14-35-61,62-36-15-5-16-37-62)75-47-24-26-49-77(75)83;1-7-27-59(28-8-1)81(60-29-9-2-10-30-60,61-31-11-3-12-32-61)65-50-47-57(48-51-65)79-72-42-22-20-40-68(72)70-55-58(49-54-73(70)79)80-71-41-21-19-39-67(71)69-53-52-66(56-74(69)80)83(64-37-17-6-18-38-64)77-45-25-23-43-75(77)82(62-33-13-4-14-34-62,63-35-15-5-16-36-63)76-44-24-26-46-78(76)83;1-7-27-59(28-8-1)81(60-29-9-2-10-30-60,61-31-11-3-12-32-61)65-50-47-57(48-51-65)79-71-41-21-19-39-67(71)69-53-49-58(55-73(69)79)80-72-42-22-20-40-68(72)70-54-52-66(56-74(70)80)83(64-37-17-6-18-38-64)77-45-25-23-43-75(77)82(62-33-13-4-14-34-62,63-35-15-5-16-36-63)76-44-24-26-46-78(76)83/h3*1-56H |
| InChIKey | LGEZJNHFQIPKEV-UHFFFAOYSA-N |
| XLogP | 30.98 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 249 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3316.73 |
| LogP ≤ 5 | 30.98 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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