About ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane
ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane (PubChem CID 158686247) has the molecular formula C80H110I2Si2
and a molecular weight of 1381.74 g/mol. Its IUPAC name is ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane.
Molecular Properties
| Compound Name | ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane |
|---|
| PubChem CID | 158686247 |
|---|
| Molecular Formula | C80H110I2Si2 |
|---|
| Molecular Weight | 1381.74 g/mol |
|---|
| Exact Mass | 1380.62 |
|---|
| IUPAC Name | ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane |
|---|
| SMILES | C.C#C[SiH](C)C.C#Cc1ccccc1.C(#Cc1ccccc1)c1ccccc1.C(#Cc1ccccc1)c1ccccc1.CC.CC.CC.CC.CC.CC.CC.CC.C[Si](C)(C)C#Cc1ccccc1.Ic1ccccc1.Ic1ccccc1 |
|---|
| InChI | InChI=1S/2C14H10.C11H14Si.C8H6.2C6H5I.C4H8Si.8C2H6.CH4/c2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-12(2,3)10-9-11-7-5-4-6-8-11;1-2-8-6-4-3-5-7-8;2*7-6-4-2-1-3-5-6;1-4-5(2)3;8*1-2;/h2*1-10H;4-8H,1-3H3;1,3-7H;2*1-5H;1,5H,2-3H3;8*1-2H3;1H4 |
|---|
| InChIKey | IFTVGBUIBWLCPJ-UHFFFAOYSA-N |
|---|
| XLogP | 24.83 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 84 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 1381.74 |
| LogP ≤ 5 | 24.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|
Analyze ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane?
The IUPAC name of ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane (CID 158686247) is ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane.
What is the SMILES notation for ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane?
The canonical SMILES for ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane is C.C#C[SiH](C)C.C#Cc1ccccc1.C(#Cc1ccccc1)c1ccccc1.C(#Cc1ccccc1)c1ccccc1.CC.CC.CC.CC.CC.CC.CC.CC.C[Si](C)(C)C#Cc1ccccc1.Ic1ccccc1.Ic1ccccc1.
What is the InChIKey of ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane?
The InChIKey is IFTVGBUIBWLCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H10.C11H14Si.C8H6.2C6H5I.C4H8Si.8C2H6.CH4/c2*1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-12(2,3)10-9-11-7-5-4-6-8-11;1-2-8-6-4-3-5-7-8;2*7-6-4-2-1-3-5-6;1-4-5(2)3;8*1-2;/h2*1-10H;4-8H,1-3H3;1,3-7H;2*1-5H;1,5H,2-3H3;8*1-2H3;1H4.
What are the key properties of ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane?
ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane has a molecular weight of 1381.74 g/mol, XLogP of 24.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethynylbenzene;ethynyl(dimethyl)silane;iodobenzene;methane;bis(2-phenylethynylbenzene);trimethyl(2-phenylethynyl)silane is sourced from PubChem (CID 158686247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).