C242H172N4S4Si4 — CID 163411900
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;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;7-phenyl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine (PubChem CID 163411900) has the molecular formula C242H172N4S4Si4 and a molecular weight of 3376.68 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;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;7-phenyl-N-(4-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;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;7-phenyl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine |
|---|---|
| PubChem CID | 163411900 |
| Molecular Formula | C242H172N4S4Si4 |
| Molecular Weight | 3376.68 g/mol |
| Exact Mass | 3373.15 |
| 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;7-phenyl-N-(2-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine;7-phenyl-N-(4-phenylphenyl)-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzothiophen-3-amine |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4ccc([Si](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)c3ccc4c(c3)sc3cc(-c5ccccc5)ccc34)cc2)cc1.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)c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2ccc3c(c2)sc2cc(N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccccc4-c4ccccc4)ccc23)cc1 |
| InChI | InChI=1S/C64H45NSSi.2C60H43NSSi.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;1-6-18-44(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;1-6-16-44(17-7-1)46-26-33-50(34-27-46)61(52-37-41-58-57-40-32-49(45-18-8-2-9-19-45)42-59(57)62-60(58)43-52)51-35-28-47(29-36-51)48-30-38-56(39-31-48)63(53-20-10-3-11-21-53,54-22-12-4-13-23-54)55-24-14-5-15-25-55;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;2*1-43H;1-41H |
| InChIKey | ABEXXOREMZYVJA-UHFFFAOYSA-N |
| XLogP | 56.25 |
| TPSA | 12.96 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 254 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3376.68 |
| LogP ≤ 5 | 56.25 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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