C244H168N4OS4Si4 — CID 160986972
5,5-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-yl)-N,7-diphenyldibenzofuran-3-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-phenanthren-2-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine (PubChem CID 160986972) has the molecular formula C244H168N4OS4Si4 and a molecular weight of 3412.67 g/mol. Its IUPAC name is 5,5-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-yl)-N,7-diphenyldibenzofuran-3-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-phenanthren-2-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine.
| Compound Name | 5,5-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-yl)-N,7-diphenyldibenzofuran-3-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-phenanthren-2-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine |
|---|---|
| PubChem CID | 160986972 |
| Molecular Formula | C244H168N4OS4Si4 |
| Molecular Weight | 3412.67 g/mol |
| Exact Mass | 3409.12 |
| IUPAC Name | 5,5-diphenyl-N,N-bis(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-(5,5-diphenylspiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-yl)-N,7-diphenyldibenzofuran-3-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine;N-phenanthren-2-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-thioxanthene]-2'-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c3ccc4c(ccc5ccccc54)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5S4)c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc3c(c2)oc2cc(N(c4ccccc4)c4ccc5c(c4)C4(c6ccccc6S5)c5ccccc5[Si](c5ccccc5)(c5ccccc5)c5ccccc54)ccc23)cc1 |
| InChI | InChI=1S/C63H43NSSi.C61H41NOSSi.C61H43NSSi.C59H41NSSi/c1-4-18-44(19-5-1)45-34-36-48(37-35-45)64(49-38-40-54-47(42-49)33-32-46-20-10-11-25-53(46)54)50-39-41-60-58(43-50)63(55-26-12-15-29-59(55)65-60)56-27-13-16-30-61(56)66(51-21-6-2-7-22-51,52-23-8-3-9-24-52)62-31-17-14-28-57(62)63;1-5-19-42(20-6-1)43-33-36-49-50-37-34-46(41-56(50)63-55(49)39-43)62(44-21-7-2-8-22-44)45-35-38-58-54(40-45)61(51-27-13-16-30-57(51)64-58)52-28-14-17-31-59(52)65(47-23-9-3-10-24-47,48-25-11-4-12-26-48)60-32-18-15-29-53(60)61;1-5-19-44(20-6-1)46-33-37-48(38-34-46)62(49-39-35-47(36-40-49)45-21-7-2-8-22-45)50-41-42-58-56(43-50)61(53-27-13-16-30-57(53)63-58)54-28-14-17-31-59(54)64(51-23-9-3-10-24-51,52-25-11-4-12-26-52)60-32-18-15-29-55(60)61;1-4-19-42(20-5-1)43-35-37-45(38-36-43)60(54-31-18-22-44-21-10-11-27-49(44)54)46-39-40-56-53(41-46)59(50-28-12-15-32-55(50)61-56)51-29-13-16-33-57(51)62(47-23-6-2-7-24-47,48-25-8-3-9-26-48)58-34-17-14-30-52(58)59/h1-43H;1-41H;1-43H;1-41H |
| InChIKey | TUCJDBXGTYZBBL-UHFFFAOYSA-N |
| XLogP | 52.47 |
| TPSA | 26.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 257 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3412.67 |
| LogP ≤ 5 | 52.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|