C302H228N10O4Si6 — CID 165102783
4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane (PubChem CID 165102783) has the molecular formula C302H228N10O4Si6 and a molecular weight of 4229.73 g/mol. Its IUPAC name is 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane.
| Compound Name | 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane |
|---|---|
| PubChem CID | 165102783 |
| Molecular Formula | C302H228N10O4Si6 |
| Molecular Weight | 4229.73 g/mol |
| Exact Mass | 4225.66 |
| IUPAC Name | 4,6-bis(10,10-diphenylbenzo[b][1,4]benzoxasilin-4-yl)-2-phenylpyrimidine;4,6-bis(9,9-diphenylxanthen-4-yl)-2-phenylpyrimidine;[3-[2-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]-triphenylsilane;2-(2,4,6-trimethylphenyl)-4,6-bis(3-tritylphenyl)pyrimidine;triphenyl-[3-[2-(2,4,6-trimethylphenyl)-6-(3-triphenylsilylphenyl)pyrimidin-4-yl]phenyl]silane |
| SMILES | Cc1cc(C)c(-c2nc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cc(C)c(-c2nc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)n2)c(C)c1.Cc1cccc(C)c1-c1nc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc(-c2cccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)c2)n1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)cc(-c3cccc4c3Oc3ccccc3[Si]4(c3ccccc3)c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C63H50N2.C61H50N2Si2.C60H40N2O2.C60H48N2Si2.C58H40N2O2Si2/c1-45-40-46(2)60(47(3)41-45)61-64-58(48-24-22-38-56(42-48)62(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(65-61)49-25-23-39-57(43-49)63(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-45-40-46(2)60(47(3)41-45)61-62-58(48-24-22-38-56(42-48)64(50-26-10-4-11-27-50,51-28-12-5-13-29-51)52-30-14-6-15-31-52)44-59(63-61)49-25-23-39-57(43-49)65(53-32-16-7-17-33-53,54-34-18-8-19-35-54)55-36-20-9-21-37-55;1-6-22-41(23-7-1)58-61-52(46-32-20-36-50-56(46)63-54-38-18-16-34-48(54)59(50,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-53(62-58)47-33-21-37-51-57(47)64-55-39-19-17-35-49(55)60(51,44-28-12-4-13-29-44)45-30-14-5-15-31-45;1-45-24-21-25-46(2)59(45)60-61-57(47-26-22-40-55(42-47)63(49-28-9-3-10-29-49,50-30-11-4-12-31-50)51-32-13-5-14-33-51)44-58(62-60)48-27-23-41-56(43-48)64(52-34-15-6-16-35-52,53-36-17-7-18-37-53)54-38-19-8-20-39-54;1-6-22-41(23-7-1)58-59-48(46-32-20-38-54-56(46)61-50-34-16-18-36-52(50)63(54,42-24-8-2-9-25-42)43-26-10-3-11-27-43)40-49(60-58)47-33-21-39-55-57(47)62-51-35-17-19-37-53(51)64(55,44-28-12-4-13-29-44)45-30-14-5-15-31-45/h2*4-44H,1-3H3;1-40H;3-44H,1-2H3;1-40H |
| InChIKey | YPRXCLUOPUIYBS-UHFFFAOYSA-N |
| XLogP | 56.07 |
| TPSA | 165.82 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 322 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4229.73 |
| LogP ≤ 5 | 56.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |