C228H163N13Si4 — CID 160506693
2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-2-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 160506693) has the molecular formula C228H163N13Si4 and a molecular weight of 3197.25 g/mol. Its IUPAC name is 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-2-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine.
| Compound Name | 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-2-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine |
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| PubChem CID | 160506693 |
| Molecular Formula | C228H163N13Si4 |
| Molecular Weight | 3197.25 g/mol |
| Exact Mass | 3194.22 |
| IUPAC Name | 2-[3-(6-carbazol-9-yl-9-phenylcarbazol-4-yl)phenyl]-9,9-dimethyl-4-phenyl-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-2-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[6-phenyl-9-(3-phenylphenyl)carbazol-4-yl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;2-[3-[3-(6,9-diphenylcarbazol-4-yl)phenyl]phenyl]-9,9-dimethyl-4-(3-phenylphenyl)-[1]benzosilolo[2,3-d]pyrimidine |
| SMILES | C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5c5cc(-c7ccccc7)ccc5n6-c5cccc(-c6ccccc6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-n6c7ccccc7c7ccccc76)ccc4n5-c4ccccc4)c3)nc21 |
| InChI | InChI=1S/2C60H43N3Si.C54H38N4Si.C54H39N3Si/c1-64(2)55-33-13-12-30-51(55)57-58(47-26-15-22-42(37-47)40-18-6-3-7-19-40)61-59(62-60(57)64)48-27-16-24-44(38-48)43-23-14-25-46(36-43)50-31-17-32-54-56(50)52-39-45(41-20-8-4-9-21-41)34-35-53(52)63(54)49-28-10-5-11-29-49;1-64(2)55-33-13-12-30-51(55)57-58(42-22-10-5-11-23-42)61-59(62-60(57)64)48-28-15-25-44(37-48)43-24-14-27-47(36-43)50-31-17-32-54-56(50)52-39-46(41-20-8-4-9-21-41)34-35-53(52)63(54)49-29-16-26-45(38-49)40-18-6-3-7-19-40;1-59(2)49-30-14-11-25-43(49)51-52(35-17-5-3-6-18-35)55-53(56-54(51)59)37-20-15-19-36(33-37)40-26-16-29-48-50(40)44-34-39(31-32-47(44)57(48)38-21-7-4-8-22-38)58-45-27-12-9-23-41(45)42-24-10-13-28-46(42)58;1-58(2)49-32-12-10-28-46(49)51-52(41-23-14-19-37(34-41)36-17-5-3-6-18-36)55-53(56-54(51)58)42-24-15-21-39(35-42)38-20-13-22-40(33-38)44-29-16-31-48-50(44)45-27-9-11-30-47(45)57(48)43-25-7-4-8-26-43/h2*3-39H,1-2H3;3-34H,1-2H3;3-35H,1-2H3 |
| InChIKey | QSMRPSQKCNYPPW-UHFFFAOYSA-N |
| XLogP | 53.94 |
| TPSA | 127.77 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 245 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3197.25 |
| LogP ≤ 5 | 53.94 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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