About dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane (PubChem CID 123472520) has the molecular formula C38H30Si
and a molecular weight of 514.74 g/mol. Its IUPAC name is dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane.
Molecular Properties
| Compound Name | dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane |
| PubChem CID | 123472520 |
| Molecular Formula | C38H30Si |
| Molecular Weight | 514.74 g/mol |
| Exact Mass | 514.21 |
| IUPAC Name | dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane |
| SMILES | C[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccc2ccccc2c1 |
| InChI | InChI=1S/C38H30Si/c1-39(2,32-25-20-27-12-6-7-15-30(27)26-32)31-23-21-29(22-24-31)38-35-18-10-8-16-33(35)37(28-13-4-3-5-14-28)34-17-9-11-19-36(34)38/h3-26H,1-2H3 |
| InChIKey | ZJUOBCQHSBSFFZ-UHFFFAOYSA-N |
| XLogP | 9.30 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 4 |
| Heavy Atoms | 39 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
| MW ≤ 500 | 514.74 |
| LogP ≤ 5 | 9.30 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
The IUPAC name of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane (CID 123472520) is dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane.
What is the SMILES notation for dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
The canonical SMILES for dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane is C[Si](C)(c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1)c1ccc2ccccc2c1.
What is the InChIKey of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
The InChIKey is ZJUOBCQHSBSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30Si/c1-39(2,32-25-20-27-12-6-7-15-30(27)26-32)31-23-21-29(22-24-31)38-35-18-10-8-16-33(35)37(28-13-4-3-5-14-28)34-17-9-11-19-36(34)38/h3-26H,1-2H3.
What are the key properties of dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane?
dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane has a molecular weight of 514.74 g/mol, XLogP of 9.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-naphthalen-2-yl-[4-(10-phenylanthracen-9-yl)phenyl]silane is sourced from PubChem (CID 123472520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).