C240H166N4O4Si2 — CID 159260478
N,N-bis(4-naphthalen-1-ylphenyl)-3-(8-phenyldibenzofuran-2-yl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N,N-bis(4-phenylphenyl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(8-phenyldibenzofuran-2-yl)-N,N-bis(4-phenylphenyl)aniline (PubChem CID 159260478) has the molecular formula C240H166N4O4Si2 and a molecular weight of 3226.16 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-3-(8-phenyldibenzofuran-2-yl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N,N-bis(4-phenylphenyl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(8-phenyldibenzofuran-2-yl)-N,N-bis(4-phenylphenyl)aniline.
| Compound Name | N,N-bis(4-naphthalen-1-ylphenyl)-3-(8-phenyldibenzofuran-2-yl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N,N-bis(4-phenylphenyl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(8-phenyldibenzofuran-2-yl)-N,N-bis(4-phenylphenyl)aniline |
|---|---|
| PubChem CID | 159260478 |
| Molecular Formula | C240H166N4O4Si2 |
| Molecular Weight | 3226.16 g/mol |
| Exact Mass | 3223.24 |
| IUPAC Name | N,N-bis(4-naphthalen-1-ylphenyl)-3-(8-phenyldibenzofuran-2-yl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N,N-bis(4-phenylphenyl)aniline;3-[diphenyl-[4-(6-phenyldibenzofuran-4-yl)phenyl]silyl]-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline;3-(8-phenyldibenzofuran-2-yl)-N,N-bis(4-phenylphenyl)aniline |
| SMILES | c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc(-c4ccc5oc6ccc(-c7ccccc7)cc6c5c4)c3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)cc4)c3)cc2)cc1.c1ccc(-c2ccc3oc4ccc(-c5cccc(N(c6ccc(-c7cccc8ccccc78)cc6)c6ccc(-c7cccc8ccccc78)cc6)c5)cc4c3c2)cc1 |
| InChI | InChI=1S/C70H49NOSi.C66H47NOSi.C56H37NO.C48H33NO/c1-5-19-50(20-6-1)51-37-43-56(44-38-51)71(57-45-39-54(40-46-57)64-32-15-24-52-23-13-14-31-63(52)64)58-25-16-30-62(49-58)73(59-26-9-3-10-27-59,60-28-11-4-12-29-60)61-47-41-55(42-48-61)66-34-18-36-68-67-35-17-33-65(69(67)72-70(66)68)53-21-7-2-8-22-53;1-6-19-48(20-7-1)50-35-41-54(42-36-50)67(55-43-37-51(38-44-55)49-21-8-2-9-22-49)56-25-16-30-60(47-56)69(57-26-12-4-13-27-57,58-28-14-5-15-29-58)59-45-39-53(40-46-59)62-32-18-34-64-63-33-17-31-61(65(63)68-66(62)64)52-23-10-3-11-24-52;1-2-11-38(12-3-1)44-27-33-55-53(36-44)54-37-45(28-34-56(54)58-55)43-17-8-18-48(35-43)57(46-29-23-41(24-30-46)51-21-9-15-39-13-4-6-19-49(39)51)47-31-25-42(26-32-47)52-22-10-16-40-14-5-7-20-50(40)52;1-4-11-34(12-5-1)37-19-25-42(26-20-37)49(43-27-21-38(22-28-43)35-13-6-2-7-14-35)44-18-10-17-39(31-44)41-24-30-48-46(33-41)45-32-40(23-29-47(45)50-48)36-15-8-3-9-16-36/h1-49H;1-47H;1-37H;1-33H |
| InChIKey | KWLDCLBNNVGMIT-UHFFFAOYSA-N |
| XLogP | 61.11 |
| TPSA | 65.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 250 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3226.16 |
| LogP ≤ 5 | 61.11 |
| 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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