C220H156N4OS4Si4 — CID 163981755
N,7-diphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-(3-triphenylsilylphenyl)dibenzofuran-3-amine;7-phenyl-N-(3-phenylphenyl)-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine (PubChem CID 163981755) has the molecular formula C220H156N4OS4Si4 and a molecular weight of 3112.31 g/mol. Its IUPAC name is N,7-diphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-(3-triphenylsilylphenyl)dibenzofuran-3-amine;7-phenyl-N-(3-phenylphenyl)-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine.
| Compound Name | N,7-diphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-(3-triphenylsilylphenyl)dibenzofuran-3-amine;7-phenyl-N-(3-phenylphenyl)-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine |
|---|---|
| PubChem CID | 163981755 |
| Molecular Formula | C220H156N4OS4Si4 |
| Molecular Weight | 3112.31 g/mol |
| Exact Mass | 3109.02 |
| IUPAC Name | N,7-diphenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-(3-triphenylsilylphenyl)dibenzofuran-3-amine;7-phenyl-N-(3-phenylphenyl)-N-(3-triphenylsilylphenyl)dibenzothiophen-3-amine |
| SMILES | c1ccc(-c2ccc3c(c2)sc2cc(N(c4ccc(-c5cccc6ccccc56)cc4)c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(N(c4cccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)c4)c4ccc5c(c4)oc4ccccc45)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(N(c4ccccc4)c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc23)cc1.c1ccc(-c2cccc(N(c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)c3ccc4c(c3)sc3cc(-c5ccccc5)ccc34)c2)cc1 |
| InChI | InChI=1S/C58H41NSSi.C54H37NOSSi.2C54H39NSSi/c1-5-17-42(18-6-1)45-33-37-55-56-38-36-48(41-58(56)60-57(55)39-45)59(46-34-31-44(32-35-46)54-30-15-20-43-19-13-14-29-53(43)54)47-21-16-28-52(40-47)61(49-22-7-2-8-23-49,50-24-9-3-10-25-50)51-26-11-4-12-27-51;1-5-16-38(17-6-1)39-28-31-49-50-33-30-42(37-54(50)57-53(49)34-39)55(41-29-32-48-47-26-13-14-27-51(47)56-52(48)36-41)40-18-15-25-46(35-40)58(43-19-7-2-8-20-43,44-21-9-3-10-22-44)45-23-11-4-12-24-45;1-6-18-40(19-7-1)42-22-16-23-44(36-42)55(46-33-35-52-51-34-32-43(41-20-8-2-9-21-41)37-53(51)56-54(52)39-46)45-24-17-31-50(38-45)57(47-25-10-3-11-26-47,48-27-12-4-13-28-48)49-29-14-5-15-30-49;1-6-16-40(17-7-1)43-30-36-51-52-37-33-46(39-54(52)56-53(51)38-43)55(44-18-8-2-9-19-44)45-31-26-41(27-32-45)42-28-34-50(35-29-42)57(47-20-10-3-11-21-47,48-22-12-4-13-23-48)49-24-14-5-15-25-49/h1-41H;1-37H;2*1-39H |
| InChIKey | SYZWYSLMJCYZEN-UHFFFAOYSA-N |
| XLogP | 50.33 |
| TPSA | 26.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 233 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3112.31 |
| LogP ≤ 5 | 50.33 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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