C242H170N4OS4Si4 — CID 163707949
N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 163707949) has the molecular formula C242H170N4OS4Si4 and a molecular weight of 3390.66 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine.
| Compound Name | N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine |
|---|---|
| PubChem CID | 163707949 |
| Molecular Formula | C242H170N4OS4Si4 |
| Molecular Weight | 3390.66 g/mol |
| Exact Mass | 3387.13 |
| IUPAC Name | N-(4-naphthalen-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-naphthalen-1-yl-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;N-(7-phenyldibenzothiophen-3-yl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine |
| SMILES | c1ccc(-c2ccc3c(c2)sc2cc(N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc(-c5cccc6ccccc56)cc4)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc5c(c4)oc4ccccc45)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccccc4-c4ccccc4)ccc23)cc1 |
| InChI | InChI=1S/C64H45NSSi.C60H41NOSSi.C60H43NSSi.C58H41NSSi/c1-5-16-46(17-6-1)51-34-42-61-62-43-39-54(45-64(62)66-63(61)44-51)65(53-37-30-50(31-38-53)60-27-15-19-49-18-13-14-26-59(49)60)52-35-28-47(29-36-52)48-32-40-58(41-33-48)67(55-20-7-2-8-21-55,56-22-9-3-10-23-56)57-24-11-4-12-25-57;1-5-15-42(16-6-1)45-29-36-55-56-38-33-48(41-60(56)63-59(55)39-45)61(47-32-37-54-53-23-13-14-24-57(53)62-58(54)40-47)46-30-25-43(26-31-46)44-27-34-52(35-28-44)64(49-17-7-2-8-18-49,50-19-9-3-10-20-50)51-21-11-4-12-22-51;1-6-18-44(19-7-1)48-34-40-56-57-41-37-50(43-60(57)62-59(56)42-48)61(58-29-17-16-28-55(58)47-20-8-2-9-21-47)49-35-30-45(31-36-49)46-32-38-54(39-33-46)63(51-22-10-3-11-23-51,52-24-12-4-13-25-52)53-26-14-5-15-27-53;1-5-16-42(17-6-1)46-32-38-54-55-39-35-48(41-58(55)60-57(54)40-46)59(56-27-15-19-45-18-13-14-26-53(45)56)47-33-28-43(29-34-47)44-30-36-52(37-31-44)61(49-20-7-2-8-21-49,50-22-9-3-10-23-50)51-24-11-4-12-25-51/h1-45H;1-41H;1-43H;1-41H |
| InChIKey | KGRXNGAPYTYREN-UHFFFAOYSA-N |
| XLogP | 56.48 |
| TPSA | 26.10 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 9 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 255 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3390.66 |
| LogP ≤ 5 | 56.48 |
| 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'} |
|---|