C246H172N4O4Si4 — CID 161149148
N-(3,4-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(3,5-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(4-naphthalen-1-ylphenyl)-5,5-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine (PubChem CID 161149148) has the molecular formula C246H172N4O4Si4 and a molecular weight of 3360.45 g/mol. Its IUPAC name is N-(3,4-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(3,5-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(4-naphthalen-1-ylphenyl)-5,5-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine.
| Compound Name | N-(3,4-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(3,5-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(4-naphthalen-1-ylphenyl)-5,5-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine |
|---|---|
| PubChem CID | 161149148 |
| Molecular Formula | C246H172N4O4Si4 |
| Molecular Weight | 3360.45 g/mol |
| Exact Mass | 3357.25 |
| IUPAC Name | N-(3,4-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(3,5-diphenylphenyl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-naphthalen-1-yl-5,5-diphenyl-N-(4-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine;N-(4-naphthalen-1-ylphenyl)-5,5-diphenyl-N-(2-phenylphenyl)spiro[benzo[b][1]benzosiline-10,9'-xanthene]-3'-amine |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(N(c3ccccc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c2)cc1.c1ccc(-c2ccc(N(c3ccc4c(c3)Oc3ccccc3C43c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)c3cccc4ccccc34)cc2)cc1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4c(c3)Oc3ccccc3C43c4ccccc4[Si](c4ccccc4)(c4ccccc4)c4ccccc43)cc2-c2ccccc2)cc1.c1ccc(-c2ccccc2N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)Oc2ccccc2C32c3ccccc3[Si](c3ccccc3)(c3ccccc3)c3ccccc32)cc1 |
| InChI | InChI=1S/C65H45NOSi.2C61H43NOSi.C59H41NOSi/c1-4-21-47(22-5-1)55-30-12-16-35-60(55)66(49-41-39-48(40-42-49)54-31-20-24-46-23-10-11-29-53(46)54)50-43-44-57-62(45-50)67-61-36-17-13-32-56(61)65(57)58-33-14-18-37-63(58)68(51-25-6-2-7-26-51,52-27-8-3-9-28-52)64-38-19-15-34-59(64)65;1-6-22-44(23-7-1)51-40-38-47(42-52(51)45-24-8-2-9-25-45)62(46-26-10-3-11-27-46)48-39-41-54-58(43-48)63-57-35-19-16-32-53(57)61(54)55-33-17-20-36-59(55)64(49-28-12-4-13-29-49,50-30-14-5-15-31-50)60-37-21-18-34-56(60)61;1-6-22-44(23-7-1)46-40-47(45-24-8-2-9-25-45)42-50(41-46)62(48-26-10-3-11-27-48)49-38-39-54-58(43-49)63-57-35-19-16-32-53(57)61(54)55-33-17-20-36-59(55)64(51-28-12-4-13-29-51,52-30-14-5-15-31-52)60-37-21-18-34-56(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)46-39-40-51-56(41-46)61-55-32-15-12-28-50(55)59(51)52-29-13-16-33-57(52)62(47-23-6-2-7-24-47,48-25-8-3-9-26-48)58-34-17-14-30-53(58)59/h1-45H;2*1-43H;1-41H |
| InChIKey | UOLCPAHBTLXHQY-UHFFFAOYSA-N |
| XLogP | 51.32 |
| TPSA | 49.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 258 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3360.45 |
| LogP ≤ 5 | 51.32 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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