C244H212Si4 — CID 158357350
2,6-ditert-butyl-9,10-dinaphthalen-1-ylanthracene;2,6-ditert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-yl-6-trimethylsilylanthracen-2-yl)-trimethylsilane;trimethyl-[9-naphthalen-1-yl-10-(4-phenylphenyl)-6-trimethylsilylanthracen-2-yl]silane (PubChem CID 158357350) has the molecular formula C244H212Si4 and a molecular weight of 3256.72 g/mol. Its IUPAC name is 2,6-ditert-butyl-9,10-dinaphthalen-1-ylanthracene;2,6-ditert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-yl-6-trimethylsilylanthracen-2-yl)-trimethylsilane;trimethyl-[9-naphthalen-1-yl-10-(4-phenylphenyl)-6-trimethylsilylanthracen-2-yl]silane.
| Compound Name | 2,6-ditert-butyl-9,10-dinaphthalen-1-ylanthracene;2,6-ditert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-yl-6-trimethylsilylanthracen-2-yl)-trimethylsilane;trimethyl-[9-naphthalen-1-yl-10-(4-phenylphenyl)-6-trimethylsilylanthracen-2-yl]silane |
|---|---|
| PubChem CID | 158357350 |
| Molecular Formula | C244H212Si4 |
| Molecular Weight | 3256.72 g/mol |
| Exact Mass | 3253.57 |
| IUPAC Name | 2,6-ditert-butyl-9,10-dinaphthalen-1-ylanthracene;2,6-ditert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-yl-6-trimethylsilylanthracen-2-yl)-trimethylsilane;trimethyl-[9-naphthalen-1-yl-10-(4-phenylphenyl)-6-trimethylsilylanthracen-2-yl]silane |
| SMILES | CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3cc(C(C)(C)C)ccc3c(-c3cccc4ccccc34)c2c1.C[Si](C)(C)c1ccc2c(-c3cccc4ccccc34)c3cc([Si](C)(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.C[Si](C)(C)c1ccc2c(-c3cccc4ccccc34)c3cc([Si](C)(C)C)ccc3c(-c3cccc4ccccc34)c2c1.Cc1ccc2c(-c3ccc4ccccc4c3)c3cc(C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1ccc2c(-c3cccc4ccccc34)c3cc(C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1 |
| InChI | InChI=1S/C44H40.C42H40Si2.C42H38.C40H38Si2.2C38H28/c2*1-43(2,3)33-24-26-38-39(27-33)41(32-21-19-30(20-22-32)29-13-8-7-9-14-29)37-25-23-34(44(4,5)6)28-40(37)42(38)36-18-12-16-31-15-10-11-17-35(31)36;2*1-41(2,3)29-21-23-35-37(25-29)39(33-19-11-15-27-13-7-9-17-31(27)33)36-24-22-30(42(4,5)6)26-38(36)40(35)34-20-12-16-28-14-8-10-18-32(28)34;1-25-16-22-34-35(23-25)37(30-19-17-28(18-20-30)27-9-4-3-5-10-27)33-21-15-26(2)24-36(33)38(34)32-14-8-12-29-11-6-7-13-31(29)32;1-25-13-21-34-35(22-25)37(30-17-14-29(15-18-30)27-8-4-3-5-9-27)33-20-12-26(2)23-36(33)38(34)32-19-16-28-10-6-7-11-31(28)24-32/h2*7-28H,1-6H3;2*7-26H,1-6H3;2*3-24H,1-2H3 |
| InChIKey | GTASMWFDVMNTNN-UHFFFAOYSA-N |
| XLogP | 68.46 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 248 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3256.72 |
| LogP ≤ 5 | 68.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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