C130H92Si3 — CID 160890535
[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane (PubChem CID 160890535) has the molecular formula C130H92Si3 and a molecular weight of 1738.42 g/mol. Its IUPAC name is [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane.
| Compound Name | [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane |
|---|---|
| PubChem CID | 160890535 |
| Molecular Formula | C130H92Si3 |
| Molecular Weight | 1738.42 g/mol |
| Exact Mass | 1736.65 |
| IUPAC Name | [10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane;[10-phenanthren-9-yl-9-(4-phenylphenyl)anthracen-2-yl]-phenylsilane |
| SMILES | c1ccc([SiH2]c2ccc3c(-c4cc5ccccc5c5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1.c1ccc([SiH2]c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c3c2)cc1 |
| InChI | InChI=1S/C46H32Si.2C42H30Si/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)45-40-21-11-12-22-41(40)46(42-28-27-36(30-44(42)45)47-35-16-5-2-6-17-35)43-29-34-15-7-8-18-37(34)38-19-9-10-20-39(38)43;1-3-12-29(13-4-1)30-22-24-32(25-23-30)41-37-19-9-10-20-38(37)42(36-21-11-15-31-14-7-8-18-35(31)36)39-27-26-34(28-40(39)41)43-33-16-5-2-6-17-33;1-3-11-29(12-4-1)31-19-22-32(23-20-31)41-37-17-9-10-18-38(37)42(34-24-21-30-13-7-8-14-33(30)27-34)39-26-25-36(28-40(39)41)43-35-15-5-2-6-16-35/h1-30H,47H2;2*1-28H,43H2 |
| InChIKey | SOFCSGQQCNGRAQ-UHFFFAOYSA-N |
| XLogP | 28.95 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 133 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1738.42 |
| LogP ≤ 5 | 28.95 |
| 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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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