C191H131N7O2Si — CID 162035810
5-[4-[9-(4-carbazol-9-ylphenyl)-10-phenylacridin-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;9-dibenzofuran-1-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine;9-dibenzofuran-4-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine (PubChem CID 162035810) has the molecular formula C191H131N7O2Si and a molecular weight of 2584.28 g/mol. Its IUPAC name is 5-[4-[9-(4-carbazol-9-ylphenyl)-10-phenylacridin-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;9-dibenzofuran-1-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine;9-dibenzofuran-4-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine.
| Compound Name | 5-[4-[9-(4-carbazol-9-ylphenyl)-10-phenylacridin-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;9-dibenzofuran-1-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine;9-dibenzofuran-4-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine |
|---|---|
| PubChem CID | 162035810 |
| Molecular Formula | C191H131N7O2Si |
| Molecular Weight | 2584.28 g/mol |
| Exact Mass | 2582.01 |
| IUPAC Name | 5-[4-[9-(4-carbazol-9-ylphenyl)-10-phenylacridin-9-yl]phenyl]-10,10-diphenylbenzo[b][1,4]benzazasiline;9-dibenzofuran-1-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine;9-dibenzofuran-4-yl-9-[4-(9,9-diphenylacridin-10-yl)phenyl]-10-phenylacridine |
| SMILES | c1ccc(N2c3ccccc3C(c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)(c3cccc4c3oc3ccccc34)c3ccccc32)cc1.c1ccc(N2c3ccccc3C(c3ccc(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)cc3)(c3cccc4oc5ccccc5c34)c3ccccc32)cc1.c1ccc(N2c3ccccc3C(c3ccc(N4c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)cc3)(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3ccccc32)cc1 |
| InChI | InChI=1S/C67H47N3Si.2C62H42N2O/c1-4-22-50(23-5-1)69-61-34-16-12-30-57(61)67(58-31-13-17-35-62(58)69,48-40-44-51(45-41-48)68-59-32-14-10-28-55(59)56-29-11-15-33-60(56)68)49-42-46-52(47-43-49)70-63-36-18-20-38-65(63)71(53-24-6-2-7-25-53,54-26-8-3-9-27-54)66-39-21-19-37-64(66)70;1-4-21-43(22-5-1)61(44-23-6-2-7-24-44)50-29-11-15-34-55(50)64(56-35-16-12-30-51(56)61)47-41-39-45(40-42-47)62(54-33-20-28-49-48-27-10-19-38-59(48)65-60(49)54)52-31-13-17-36-57(52)63(46-25-8-3-9-26-46)58-37-18-14-32-53(58)62;1-4-21-43(22-5-1)61(44-23-6-2-7-24-44)49-28-11-15-33-54(49)64(55-34-16-12-29-50(55)61)47-41-39-45(40-42-47)62(53-32-20-38-59-60(53)48-27-10-19-37-58(48)65-59)51-30-13-17-35-56(51)63(46-25-8-3-9-26-46)57-36-18-14-31-52(57)62/h1-47H;2*1-42H |
| InChIKey | YWPXOZXSXDNXNW-UHFFFAOYSA-N |
| XLogP | 45.95 |
| TPSA | 50.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 201 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2584.28 |
| LogP ≤ 5 | 45.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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