C259H205N11Si9 — CID 158356342
2,4-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-(3,5-diphenylphenyl)pyrimidine;2-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-4,6-diphenylpyrimidine;2,6-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenylpyridine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine;5-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-2-(3,5-diphenylphenyl)pyrimidine;4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-[3-phenyl-5-(3-phenylphenyl)phenyl]pyrimidine (PubChem CID 158356342) has the molecular formula C259H205N11Si9 and a molecular weight of 3724.34 g/mol. Its IUPAC name is 2,4-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-(3,5-diphenylphenyl)pyrimidine;2-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-4,6-diphenylpyrimidine;2,6-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenylpyridine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine;5-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-2-(3,5-diphenylphenyl)pyrimidine;4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-[3-phenyl-5-(3-phenylphenyl)phenyl]pyrimidine.
| Compound Name | 2,4-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-(3,5-diphenylphenyl)pyrimidine;2-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-4,6-diphenylpyrimidine;2,6-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenylpyridine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine;5-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-2-(3,5-diphenylphenyl)pyrimidine;4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-[3-phenyl-5-(3-phenylphenyl)phenyl]pyrimidine |
|---|---|
| PubChem CID | 158356342 |
| Molecular Formula | C259H205N11Si9 |
| Molecular Weight | 3724.34 g/mol |
| Exact Mass | 3720.43 |
| IUPAC Name | 2,4-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-(3,5-diphenylphenyl)pyrimidine;2-[3,5-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)phenyl]-4,6-diphenylpyrimidine;2,6-bis(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-4-phenylpyridine;2-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-5-(3,5-diphenylphenyl)pyrimidine;5-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-2-(3,5-diphenylphenyl)pyrimidine;4-(5,5-dimethylbenzo[b][1]benzosilol-4-yl)-6-phenyl-2-[3-phenyl-5-(3-phenylphenyl)phenyl]pyrimidine |
| SMILES | C[Si]1(C)c2ccccc2-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc(-c4cccc5c4[Si](C)(C)c4ccccc4-5)n3)c21.C[Si]1(C)c2ccccc2-c2cccc(-c3cc(-c4ccccc4)cc(-c4cccc5c4[Si](C)(C)c4ccccc4-5)n3)c21.C[Si]1(C)c2ccccc2-c2cccc(-c3cc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6ccccc6)c5)c4)n3)c21.C[Si]1(C)c2ccccc2-c2cccc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc(-c4cccc5c4[Si](C)(C)c4ccccc4-5)c3)c21.C[Si]1(C)c2ccccc2-c2cccc(-c3cnc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)nc3)c21.C[Si]1(C)c2ccccc2-c2cccc(-c3ncc(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cn3)c21 |
| InChI | InChI=1S/2C50H40N2Si2.C48H36N2Si.C39H33NSi2.2C36H28N2Si/c1-53(2)46-27-13-11-21-40(46)42-25-15-23-38(48(42)53)35-29-36(39-24-16-26-43-41-22-12-14-28-47(41)54(3,4)49(39)43)31-37(30-35)50-51-44(33-17-7-5-8-18-33)32-45(52-50)34-19-9-6-10-20-34;1-53(2)46-27-13-11-21-38(46)40-23-15-25-42(48(40)53)45-32-44(37-30-35(33-17-7-5-8-18-33)29-36(31-37)34-19-9-6-10-20-34)51-50(52-45)43-26-16-24-41-39-22-12-14-28-47(39)54(3,4)49(41)43;1-51(2)46-27-13-12-24-41(46)42-25-15-26-43(47(42)51)45-32-44(35-20-10-5-11-21-35)49-48(50-45)40-30-38(34-18-8-4-9-19-34)29-39(31-40)37-23-14-22-36(28-37)33-16-6-3-7-17-33;1-41(2)36-22-10-8-16-28(36)30-18-12-20-32(38(30)41)34-24-27(26-14-6-5-7-15-26)25-35(40-34)33-21-13-19-31-29-17-9-11-23-37(29)42(3,4)39(31)33;1-39(2)34-19-10-9-16-32(34)33-18-11-17-31(35(33)39)30-23-37-36(38-24-30)29-21-27(25-12-5-3-6-13-25)20-28(22-29)26-14-7-4-8-15-26;1-39(2)34-19-10-9-16-31(34)32-17-11-18-33(35(32)39)36-37-23-30(24-38-36)29-21-27(25-12-5-3-6-13-25)20-28(22-29)26-14-7-4-8-15-26/h2*5-32H,1-4H3;3-32H,1-2H3;5-25H,1-4H3;2*3-24H,1-2H3 |
| InChIKey | GSXRTFSSCUYYSD-UHFFFAOYSA-N |
| XLogP | 55.70 |
| TPSA | 141.79 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 279 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3724.34 |
| LogP ≤ 5 | 55.70 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |