C268H172N22Si2 — CID 158206044
3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile (PubChem CID 158206044) has the molecular formula C268H172N22Si2 and a molecular weight of 3756.65 g/mol. Its IUPAC name is 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile.
| Compound Name | 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile |
|---|---|
| PubChem CID | 158206044 |
| Molecular Formula | C268H172N22Si2 |
| Molecular Weight | 3756.65 g/mol |
| Exact Mass | 3753.37 |
| IUPAC Name | 3-(9H-acridin-10-yl)-5-[3-(9H-acridin-10-yl)-5-cyanophenyl]benzonitrile;3-[3-cyano-5-(9,9-diphenylacridin-10-yl)phenyl]-5-(9,9-diphenylacridin-10-yl)benzonitrile;3-[3-cyano-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)phenyl]-5-(10,10-diphenylbenzo[b][1,4]benzazasilin-5-yl)benzonitrile;3-[3-cyano-5-(10H-phenazin-5-yl)phenyl]-5-(10H-phenazin-5-yl)benzonitrile;3-(3-cyano-5-spiro[acridine-9,9'-fluorene]-10-ylphenyl)-5-spiro[acridine-9,9'-fluorene]-10-ylbenzonitrile |
| SMILES | N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C(c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4C4(c5ccccc5-c5ccccc54)c4ccccc43)c2)cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Cc4ccccc43)c2)cc(N2c3ccccc3Cc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4Nc4ccccc43)c2)cc(N2c3ccccc3Nc3ccccc32)c1.N#Cc1cc(-c2cc(C#N)cc(N3c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc(N2c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)c1 |
| InChI | InChI=1S/C64H38N4.C64H42N4.C62H42N4Si2.C40H26N4.C38H24N6/c65-39-41-33-43(37-45(35-41)67-59-29-13-9-25-55(59)63(56-26-10-14-30-60(56)67)51-21-5-1-17-47(51)48-18-2-6-22-52(48)63)44-34-42(40-66)36-46(38-44)68-61-31-15-11-27-57(61)64(58-28-12-16-32-62(58)68)53-23-7-3-19-49(53)50-20-4-8-24-54(50)64;65-43-45-37-47(41-53(39-45)67-59-33-17-13-29-55(59)63(49-21-5-1-6-22-49,50-23-7-2-8-24-50)56-30-14-18-34-60(56)67)48-38-46(44-66)40-54(42-48)68-61-35-19-15-31-57(61)64(51-25-9-3-10-26-51,52-27-11-4-12-28-52)58-32-16-20-36-62(58)68;63-43-45-37-47(41-49(39-45)65-55-29-13-17-33-59(55)67(51-21-5-1-6-22-51,52-23-7-2-8-24-52)60-34-18-14-30-56(60)65)48-38-46(44-64)40-50(42-48)66-57-31-15-19-35-61(57)68(53-25-9-3-10-26-53,54-27-11-4-12-28-54)62-36-20-16-32-58(62)66;41-25-27-17-33(23-35(19-27)43-37-13-5-1-9-29(37)21-30-10-2-6-14-38(30)43)34-18-28(26-42)20-36(24-34)44-39-15-7-3-11-31(39)22-32-12-4-8-16-40(32)44;39-23-25-17-27(21-29(19-25)43-35-13-5-1-9-31(35)41-32-10-2-6-14-36(32)43)28-18-26(24-40)20-30(22-28)44-37-15-7-3-11-33(37)42-34-12-4-8-16-38(34)44/h1-38H;2*1-42H;1-20,23-24H,21-22H2;1-22,41-42H |
| InChIKey | GBMVHOSWDULYGH-UHFFFAOYSA-N |
| XLogP | 60.23 |
| TPSA | 294.36 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 292 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3756.65 |
| LogP ≤ 5 | 60.23 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|