About CID 157436172
CID 157436172 (PubChem CID 157436172) has the molecular formula C124H115F3N32Pt6Si5
and a molecular weight of 3421.40 g/mol.
Molecular Properties
| Compound Name | CID 157436172 |
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| PubChem CID | 157436172 |
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| Molecular Formula | C124H115F3N32Pt6Si5 |
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| Molecular Weight | 3421.40 g/mol |
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| Exact Mass | 3418.67 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)c1n[c-]n(-c2cccc([Si](C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.C[Si](C)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.C[Si](C)(c1[c-]c(-n2cncn2)ccc1)c1[c-]c(-n2cncn2)ccc1.C[Si](C)(c1cccc(-c2ccn[n-]2)n1)c1cccc(-c2ccn[n-]2)n1.Cc1cc(-c2cccc([Si](C)(C)c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCc2cccc(-c3[c-]cccc3)n2)n1 |
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| InChI | InChI=1S/C24H30N8Si.C24H18N2.C20H17F3N6Si.C20H18N4Si.2C18H16N6Si.6Pt/c1-23(2,3)21-25-15-31(29-21)17-11-9-13-19(27-17)33(7,8)20-14-10-12-18(28-20)32-16-26-22(30-32)24(4,5)6;1-3-9-19(10-4-1)23-15-7-13-21(25-23)17-18-22-14-8-16-24(26-22)20-11-5-2-6-12-20;1-12-10-15(27-26-12)13-6-4-8-18(24-13)30(2,3)19-9-5-7-14(25-19)16-11-17(29-28-16)20(21,22)23;1-25(2,19-9-3-7-17(15-19)23-13-5-11-21-23)20-10-4-8-18(16-20)24-14-6-12-22-24;1-25(2,17-7-3-5-15(9-17)23-13-19-11-21-23)18-8-4-6-16(10-18)24-14-20-12-22-24;1-25(2,17-7-3-5-13(21-17)15-9-11-19-23-15)18-8-4-6-14(22-18)16-10-12-20-24-16;;;;;;/h9-14H,1-8H3;1-9,11,13-16H,17-18H2;4-11H,1-3H3;3-14H,1-2H3;3-8,11-14H,1-2H3;3-12H,1-2H3;;;;;;/q6*-2;6*+2 |
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| InChIKey | WCFQRDLVUDERJJ-UHFFFAOYSA-N |
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| XLogP | 15.59 |
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| TPSA | 369.56 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 28 |
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| Rotatable Bonds | 25 |
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| Heavy Atoms | 170 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3421.40 |
| LogP ≤ 5 | 15.59 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 157436172?
The IUPAC name of CID 157436172 (CID 157436172) is not available.
What is the SMILES notation for CID 157436172?
The canonical SMILES for CID 157436172 is CC(C)(C)c1n[c-]n(-c2cccc([Si](C)(C)c3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.C[Si](C)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.C[Si](C)(c1[c-]c(-n2cncn2)ccc1)c1[c-]c(-n2cncn2)ccc1.C[Si](C)(c1cccc(-c2ccn[n-]2)n1)c1cccc(-c2ccn[n-]2)n1.Cc1cc(-c2cccc([Si](C)(C)c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[c-]1ccccc1-c1cccc(CCc2cccc(-c3[c-]cccc3)n2)n1.
What is the InChIKey of CID 157436172?
The InChIKey is WCFQRDLVUDERJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8Si.C24H18N2.C20H17F3N6Si.C20H18N4Si.2C18H16N6Si.6Pt/c1-23(2,3)21-25-15-31(29-21)17-11-9-13-19(27-17)33(7,8)20-14-10-12-18(28-20)32-16-26-22(30-32)24(4,5)6;1-3-9-19(10-4-1)23-15-7-13-21(25-23)17-18-22-14-8-16-24(26-22)20-11-5-2-6-12-20;1-12-10-15(27-26-12)13-6-4-8-18(24-13)30(2,3)19-9-5-7-14(25-19)16-11-17(29-28-16)20(21,22)23;1-25(2,19-9-3-7-17(15-19)23-13-5-11-21-23)20-10-4-8-18(16-20)24-14-6-12-22-24;1-25(2,17-7-3-5-15(9-17)23-13-19-11-21-23)18-8-4-6-16(10-18)24-14-20-12-22-24;1-25(2,17-7-3-5-13(21-17)15-9-11-19-23-15)18-8-4-6-14(22-18)16-10-12-20-24-16;;;;;;/h9-14H,1-8H3;1-9,11,13-16H,17-18H2;4-11H,1-3H3;3-14H,1-2H3;3-8,11-14H,1-2H3;3-12H,1-2H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 157436172?
CID 157436172 has a molecular weight of 3421.40 g/mol, XLogP of 15.59, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157436172 is sourced from PubChem (CID 157436172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).