C132H106Si — CID 162178187
2-tert-butyl-10-naphthalen-1-yl-9-phenylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-methyl-10-naphthalen-2-yl-9-phenylanthracene;trimethyl-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)silane (PubChem CID 162178187) has the molecular formula C132H106Si and a molecular weight of 1720.39 g/mol. Its IUPAC name is 2-tert-butyl-10-naphthalen-1-yl-9-phenylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-methyl-10-naphthalen-2-yl-9-phenylanthracene;trimethyl-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)silane.
| Compound Name | 2-tert-butyl-10-naphthalen-1-yl-9-phenylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-methyl-10-naphthalen-2-yl-9-phenylanthracene;trimethyl-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)silane |
|---|---|
| PubChem CID | 162178187 |
| Molecular Formula | C132H106Si |
| Molecular Weight | 1720.39 g/mol |
| Exact Mass | 1718.81 |
| IUPAC Name | 2-tert-butyl-10-naphthalen-1-yl-9-phenylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-methyl-10-naphthalen-2-yl-9-phenylanthracene;trimethyl-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)silane |
| SMILES | CC(C)(C)c1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccccc3)c2c1.CC(C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccccc3)c2c1.C[Si](C)(C)c1ccc2c(-c3cccc4ccccc34)c3ccccc3c(-c3ccccc3)c2c1.Cc1ccc2c(-c3ccc4ccccc4c3)c3ccccc3c(-c3ccccc3)c2c1 |
| InChI | InChI=1S/2C34H28.C33H28Si.C31H22/c1-34(2,3)25-20-21-30-31(22-25)32(24-13-5-4-6-14-24)28-17-9-10-18-29(28)33(30)27-19-11-15-23-12-7-8-16-26(23)27;1-34(2,3)27-19-20-30-31(22-27)32(24-12-5-4-6-13-24)28-15-9-10-16-29(28)33(30)26-18-17-23-11-7-8-14-25(23)21-26;1-34(2,3)25-20-21-30-31(22-25)32(24-13-5-4-6-14-24)28-17-9-10-18-29(28)33(30)27-19-11-15-23-12-7-8-16-26(23)27;1-21-15-18-28-29(19-21)30(23-10-3-2-4-11-23)26-13-7-8-14-27(26)31(28)25-17-16-22-9-5-6-12-24(22)20-25/h3*4-22H,1-3H3;2-20H,1H3 |
| InChIKey | ZORAOZNGSSLNOD-UHFFFAOYSA-N |
| XLogP | 37.37 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 9 |
| Heavy Atoms | 133 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1720.39 |
| LogP ≤ 5 | 37.37 |
| 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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