About CID 158204828
CID 158204828 (PubChem CID 158204828) has the molecular formula C143H108N12Pt6S2
and a molecular weight of 3229.12 g/mol.
Molecular Properties
| Compound Name | CID 158204828 |
|---|
| PubChem CID | 158204828 |
|---|
| Molecular Formula | C143H108N12Pt6S2 |
|---|
| Molecular Weight | 3229.12 g/mol |
|---|
| Exact Mass | 3226.61 |
|---|
| IUPAC Name | — |
|---|
| SMILES | [CH2-]C(C)(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cccc2c1-c1nc3c(cc1CC2)CCc1cccnc1-3.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1-c1cccc(-c2cc3ccccc3cn2)n1.[c-]1ccccc1-c1cccc(-c2ccc3ccccc3n2)n1.[c-]1ccccc1-c1cccc(-c2nccc3ccccc23)n1.[c-]1ccsc1-c1cccc(-c2ccccn2)n1.[c-]1ccsc1-c1cccc(-c2ccccn2)n1 |
|---|
| InChI | InChI=1S/C20H15N2.3C20H13N2.2C14H9N2S.5C6H5.C5H11.6Pt/c1-2-6-17-13(4-1)7-9-15-12-16-10-8-14-5-3-11-21-19(14)20(16)22-18(15)17;1-2-8-16(9-3-1)18-11-6-12-19(22-18)20-17-10-5-4-7-15(17)13-14-21-20;1-2-7-15(8-3-1)18-11-6-12-19(22-18)20-13-16-9-4-5-10-17(16)14-21-20;1-2-7-15(8-3-1)18-11-6-12-19(21-18)20-14-13-16-9-4-5-10-17(16)22-20;2*1-2-9-15-11(5-1)12-6-3-7-13(16-12)14-8-4-10-17-14;5*1-2-4-6-5-3-1;1-5(2,3)4;;;;;;/h1-5,11-12H,7-10H2;1-8,10-14H;2*1-7,9-14H;2*1-7,9-10H;5*1-5H;1H2,2-4H3;;;;;;/q12*-1;6*+2 |
|---|
| InChIKey | LDXQRNFYYJLXEL-UHFFFAOYSA-N |
|---|
| XLogP | 34.73 |
|---|
| TPSA | 154.68 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 14 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 163 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3229.12 |
| LogP ≤ 5 | 34.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 14 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze CID 158204828 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 CID 158204828?
The IUPAC name of CID 158204828 (CID 158204828) is not available.
What is the SMILES notation for CID 158204828?
The canonical SMILES for CID 158204828 is [CH2-]C(C)(C)C.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1cccc2c1-c1nc3c(cc1CC2)CCc1cccnc1-3.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1-c1cccc(-c2cc3ccccc3cn2)n1.[c-]1ccccc1-c1cccc(-c2ccc3ccccc3n2)n1.[c-]1ccccc1-c1cccc(-c2nccc3ccccc23)n1.[c-]1ccsc1-c1cccc(-c2ccccn2)n1.[c-]1ccsc1-c1cccc(-c2ccccn2)n1.
What is the InChIKey of CID 158204828?
The InChIKey is LDXQRNFYYJLXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N2.3C20H13N2.2C14H9N2S.5C6H5.C5H11.6Pt/c1-2-6-17-13(4-1)7-9-15-12-16-10-8-14-5-3-11-21-19(14)20(16)22-18(15)17;1-2-8-16(9-3-1)18-11-6-12-19(22-18)20-17-10-5-4-7-15(17)13-14-21-20;1-2-7-15(8-3-1)18-11-6-12-19(22-18)20-13-16-9-4-5-10-17(16)14-21-20;1-2-7-15(8-3-1)18-11-6-12-19(21-18)20-14-13-16-9-4-5-10-17(16)22-20;2*1-2-9-15-11(5-1)12-6-3-7-13(16-12)14-8-4-10-17-14;5*1-2-4-6-5-3-1;1-5(2,3)4;;;;;;/h1-5,11-12H,7-10H2;1-8,10-14H;2*1-7,9-14H;2*1-7,9-10H;5*1-5H;1H2,2-4H3;;;;;;/q12*-1;6*+2.
What are the key properties of CID 158204828?
CID 158204828 has a molecular weight of 3229.12 g/mol, XLogP of 34.73, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158204828 is sourced from PubChem (CID 158204828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).