C204H144N16Si4 — CID 157241868
9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine (PubChem CID 157241868) has the molecular formula C204H144N16Si4 and a molecular weight of 2931.85 g/mol. Its IUPAC name is 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine.
| Compound Name | 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine |
|---|---|
| PubChem CID | 157241868 |
| Molecular Formula | C204H144N16Si4 |
| Molecular Weight | 2931.85 g/mol |
| Exact Mass | 2929.08 |
| IUPAC Name | 9,9-dimethyl-4-phenyl-2-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine;9,9-dimethyl-4-phenyl-2-[3-[3-[3-[3-(4-phenylbenzo[h]quinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]-[1]benzosilolo[2,3-d]pyrimidine |
| SMILES | C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6cccc(-c7nc(-c8ccccc8)c8ccc9ccccc9c8n7)c6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc(-c6nc(-c7ccccc7)c7ccc8ccccc8c7n6)c5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5nc(-c6ccccc6)c6ccc7ccccc7c6n5)c4)c3)nc21.C[Si]1(C)c2ccccc2-c2c(-c3ccccc3)nc(-c3cccc(-c4nc(-c5ccccc5)c5ccc6ccccc6c5n4)c3)nc21 |
| InChI | InChI=1S/C60H42N4Si.C54H38N4Si.C48H34N4Si.C42H30N4Si/c1-65(2)53-32-12-11-31-51(53)54-56(41-20-7-4-8-21-41)62-59(64-60(54)65)49-29-16-27-47(38-49)45-25-14-23-43(36-45)42-22-13-24-44(35-42)46-26-15-28-48(37-46)58-61-55(40-18-5-3-6-19-40)52-34-33-39-17-9-10-30-50(39)57(52)63-58;1-59(2)47-29-12-11-28-45(47)48-50(37-19-7-4-8-20-37)56-53(58-54(48)59)43-26-15-24-41(34-43)39-22-13-21-38(32-39)40-23-14-25-42(33-40)52-55-49(36-17-5-3-6-18-36)46-31-30-35-16-9-10-27-44(35)51(46)57-52;1-53(2)41-26-12-11-25-39(41)42-44(33-18-7-4-8-19-33)50-47(52-48(42)53)37-23-14-21-35(30-37)34-20-13-22-36(29-34)46-49-43(32-16-5-3-6-17-32)40-28-27-31-15-9-10-24-38(31)45(40)51-46;1-47(2)35-23-12-11-22-33(35)36-38(29-17-7-4-8-18-29)44-41(46-42(36)47)31-20-13-19-30(26-31)40-43-37(28-15-5-3-6-16-28)34-25-24-27-14-9-10-21-32(27)39(34)45-40/h3-38H,1-2H3;3-34H,1-2H3;3-30H,1-2H3;3-26H,1-2H3 |
| InChIKey | AVHRQADYEVQLBL-UHFFFAOYSA-N |
| XLogP | 46.18 |
| TPSA | 206.24 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 224 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2931.85 |
| LogP ≤ 5 | 46.18 |
| 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'} |
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