C224H176Si2 — CID 158492606
[9,10-bis(3-naphthalen-1-ylphenyl)-6-trimethylsilylanthracen-2-yl]-trimethylsilane;2,6-ditert-butyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2,6-dimethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9-(6-methylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(4-methylphenyl)-10-(4-phenylphenyl)anthracene (PubChem CID 158492606) has the molecular formula C224H176Si2 and a molecular weight of 2924.04 g/mol. Its IUPAC name is [9,10-bis(3-naphthalen-1-ylphenyl)-6-trimethylsilylanthracen-2-yl]-trimethylsilane;2,6-ditert-butyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2,6-dimethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9-(6-methylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(4-methylphenyl)-10-(4-phenylphenyl)anthracene.
| Compound Name | [9,10-bis(3-naphthalen-1-ylphenyl)-6-trimethylsilylanthracen-2-yl]-trimethylsilane;2,6-ditert-butyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2,6-dimethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9-(6-methylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(4-methylphenyl)-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 158492606 |
| Molecular Formula | C224H176Si2 |
| Molecular Weight | 2924.04 g/mol |
| Exact Mass | 2921.33 |
| IUPAC Name | [9,10-bis(3-naphthalen-1-ylphenyl)-6-trimethylsilylanthracen-2-yl]-trimethylsilane;2,6-ditert-butyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2,6-dimethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9-(6-methylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene;9-(4-methylphenyl)-10-(4-phenylphenyl)anthracene |
| SMILES | CC(C)(C)c1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(C(C)(C)C)ccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1.C[Si](C)(C)c1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3cc([Si](C)(C)C)ccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1.Cc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c3ccccc23)cc1.Cc1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(C)ccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1.Cc1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C54H46.C52H46Si2.C48H34.C37H26.C33H24/c2*1-53(2,3)41-27-29-47-49(33-41)51(39-21-11-19-37(31-39)45-25-13-17-35-15-7-9-23-43(35)45)48-30-28-42(54(4,5)6)34-50(48)52(47)40-22-12-20-38(32-40)46-26-14-18-36-16-8-10-24-44(36)46;1-31-23-25-43-45(27-31)47(37-17-7-15-35(29-37)41-21-9-13-33-11-3-5-19-39(33)41)44-26-24-32(2)28-46(44)48(43)38-18-8-16-36(30-38)42-22-10-14-34-12-4-6-20-40(34)42;1-25-15-16-30-24-31(22-21-29(30)23-25)37-34-13-7-5-11-32(34)36(33-12-6-8-14-35(33)37)28-19-17-27(18-20-28)26-9-3-2-4-10-26;1-23-15-17-26(18-16-23)32-28-11-5-7-13-30(28)33(31-14-8-6-12-29(31)32)27-21-19-25(20-22-27)24-9-3-2-4-10-24/h2*7-34H,1-6H3;3-30H,1-2H3;2-24H,1H3;2-22H,1H3 |
| InChIKey | HIWNIPTVPLTKNA-UHFFFAOYSA-N |
| XLogP | 62.96 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 226 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2924.04 |
| LogP ≤ 5 | 62.96 |
| 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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