C256H248N8O8Si8 — CID 162059029
1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine (PubChem CID 162059029) has the molecular formula C256H248N8O8Si8 and a molecular weight of 3789.54 g/mol. Its IUPAC name is 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine.
| Compound Name | 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine |
|---|---|
| PubChem CID | 162059029 |
| Molecular Formula | C256H248N8O8Si8 |
| Molecular Weight | 3789.54 g/mol |
| Exact Mass | 3785.74 |
| IUPAC Name | 1-N,6-N-bis(6-butyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;1-N,6-N-bis(6-propyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)-1,2-dihydropyrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-ethyldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine;4-ethenyl-1-N,6-N-bis(6-propan-2-yldibenzofuran-4-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)phenanthrene-1,6-diamine |
| SMILES | C=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(C(C)C)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(C(C)C)cccc45)cc3c12.C=Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2cccc3c2oc2c(CC)cccc23)c2ccc3ccc(N(c4ccc([Si](C)(C)C)cc4)c4cccc5c4oc4c(CC)cccc45)cc3c12.CCCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCCC)cccc34)cccc12.CCCc1cccc2c1oc1c(N(c3ccc([Si](C)(C)C)cc3)c3ccc4ccc5c6c(ccc3c46)=CCC5N(c3ccc([Si](C)(C)C)cc3)c3cccc4c3oc3c(CCC)cccc34)cccc12 |
| InChI | InChI=1S/C66H66N2O2Si2.2C64H62N2O2Si2.C62H58N2O2Si2/c1-9-11-17-45-19-13-21-51-53-23-15-25-59(65(53)69-63(45)51)67(47-31-35-49(36-32-47)71(3,4)5)57-41-29-43-28-40-56-58(42-30-44-27-39-55(57)61(43)62(44)56)68(48-33-37-50(38-34-48)72(6,7)8)60-26-16-24-54-52-22-14-20-46(18-12-10-2)64(52)70-66(54)60;1-9-15-43-17-11-19-49-51-21-13-23-57(63(51)67-61(43)49)65(45-29-33-47(34-30-45)69(3,4)5)55-39-27-41-26-38-54-56(40-28-42-25-37-53(55)59(41)60(42)54)66(46-31-35-48(36-32-46)70(6,7)8)58-24-14-22-52-50-20-12-18-44(16-10-2)62(50)68-64(52)58;1-12-42-27-38-57(66(45-31-35-48(36-32-45)70(9,10)11)59-24-16-22-54-52-20-14-18-50(41(4)5)62(52)68-64(54)59)55-37-26-43-25-28-46(39-56(43)60(42)55)65(44-29-33-47(34-30-44)69(6,7)8)58-23-15-21-53-51-19-13-17-49(40(2)3)61(51)67-63(53)58;1-10-40-27-38-55(64(45-31-35-48(36-32-45)68(7,8)9)57-24-16-22-52-50-20-14-18-42(12-3)60(50)66-62(52)57)53-37-26-43-25-28-46(39-54(43)58(40)53)63(44-29-33-47(34-30-44)67(4,5)6)56-23-15-21-51-49-19-13-17-41(11-2)59(49)65-61(51)56/h13-16,19-41,58H,9-12,17-18,42H2,1-8H3;11-14,17-39,56H,9-10,15-16,40H2,1-8H3;12-41H,1H2,2-11H3;10,13-39H,1,11-12H2,2-9H3 |
| InChIKey | YZOPEDALRNDQPE-UHFFFAOYSA-N |
| XLogP | 71.16 |
| TPSA | 131.04 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 280 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3789.54 |
| LogP ≤ 5 | 71.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|