About CID 157070759
CID 157070759 (PubChem CID 157070759) has the molecular formula C115H93F6N37O2Pt6
and a molecular weight of 3309.72 g/mol.
Molecular Properties
| Compound Name | CID 157070759 |
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| PubChem CID | 157070759 |
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| Molecular Formula | C115H93F6N37O2Pt6 |
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| Molecular Weight | 3309.72 g/mol |
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| Exact Mass | 3307.61 |
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| IUPAC Name | — |
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| SMILES | CC(C)(C)c1n[c-]n(-c2cccc(Oc3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2ccn[cH-]2)n1)c1cccc(-c2ccn[n-]2)n1.Cc1cc(-c2cccc(C(C)(C)c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.Cc1cc(-c2cccc(Cc3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1cc(Cc2cccc(-c3ccn[n-]3)n2)nc(-c2ccn[n-]2)c1.c1cc(Oc2cccc(-c3ccn[n-]3)n2)nc(-c2ccn[n-]2)c1 |
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| InChI | InChI=1S/C22H24N8O.C21H17F3N6.C20H17N5.C19H13F3N6.C17H12N6.C16H10N6O.6Pt/c1-21(2,3)19-23-13-29(27-19)15-9-7-11-17(25-15)31-18-12-8-10-16(26-18)30-14-24-20(28-30)22(4,5)6;1-12-10-15(28-27-12)13-6-4-8-17(25-13)20(2,3)18-9-5-7-14(26-18)16-11-19(30-29-16)21(22,23)24;1-20(2,18-7-3-5-15(23-18)14-9-11-21-13-14)19-8-4-6-16(24-19)17-10-12-22-25-17;1-11-8-16(26-25-11)14-6-2-4-12(23-14)9-13-5-3-7-15(24-13)17-10-18(28-27-17)19(20,21)22;1-3-12(20-14(5-1)16-7-9-18-22-16)11-13-4-2-6-15(21-13)17-8-10-19-23-17;1-3-11(13-7-9-17-21-13)19-15(5-1)23-16-6-2-4-12(20-16)14-8-10-18-22-14;;;;;;/h7-12H,1-6H3;4-11H,1-3H3;3-13H,1-2H3;2-8,10H,9H2,1H3;1-10H,11H2;1-10H;;;;;;/q6*-2;6*+2 |
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| InChIKey | HGNGQWBEYWZVPY-UHFFFAOYSA-N |
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| XLogP | 19.23 |
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| TPSA | 490.36 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 30 |
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| Rotatable Bonds | 24 |
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| Heavy Atoms | 166 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 3309.72 |
| LogP ≤ 5 | 19.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 30 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of CID 157070759?
The IUPAC name of CID 157070759 (CID 157070759) is not available.
What is the SMILES notation for CID 157070759?
The canonical SMILES for CID 157070759 is CC(C)(C)c1n[c-]n(-c2cccc(Oc3cccc(-n4[c-]nc(C(C)(C)C)n4)n3)n2)n1.CC(C)(c1cccc(-c2ccn[cH-]2)n1)c1cccc(-c2ccn[n-]2)n1.Cc1cc(-c2cccc(C(C)(C)c3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.Cc1cc(-c2cccc(Cc3cccc(-c4cc(C(F)(F)F)n[n-]4)n3)n2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2].c1cc(Cc2cccc(-c3ccn[n-]3)n2)nc(-c2ccn[n-]2)c1.c1cc(Oc2cccc(-c3ccn[n-]3)n2)nc(-c2ccn[n-]2)c1.
What is the InChIKey of CID 157070759?
The InChIKey is HGNGQWBEYWZVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O.C21H17F3N6.C20H17N5.C19H13F3N6.C17H12N6.C16H10N6O.6Pt/c1-21(2,3)19-23-13-29(27-19)15-9-7-11-17(25-15)31-18-12-8-10-16(26-18)30-14-24-20(28-30)22(4,5)6;1-12-10-15(28-27-12)13-6-4-8-17(25-13)20(2,3)18-9-5-7-14(26-18)16-11-19(30-29-16)21(22,23)24;1-20(2,18-7-3-5-15(23-18)14-9-11-21-13-14)19-8-4-6-16(24-19)17-10-12-22-25-17;1-11-8-16(26-25-11)14-6-2-4-12(23-14)9-13-5-3-7-15(24-13)17-10-18(28-27-17)19(20,21)22;1-3-12(20-14(5-1)16-7-9-18-22-16)11-13-4-2-6-15(21-13)17-8-10-19-23-17;1-3-11(13-7-9-17-21-13)19-15(5-1)23-16-6-2-4-12(20-16)14-8-10-18-22-14;;;;;;/h7-12H,1-6H3;4-11H,1-3H3;3-13H,1-2H3;2-8,10H,9H2,1H3;1-10H,11H2;1-10H;;;;;;/q6*-2;6*+2.
What are the key properties of CID 157070759?
CID 157070759 has a molecular weight of 3309.72 g/mol, XLogP of 19.23, 24 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157070759 is sourced from PubChem (CID 157070759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).