About CID 158583670
CID 158583670 (PubChem CID 158583670) has the molecular formula C106H75F9N40O2Pt6
and a molecular weight of 3282.49 g/mol.
Molecular Properties
| Compound Name | CID 158583670 |
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| PubChem CID | 158583670 |
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| Molecular Formula | C106H75F9N40O2Pt6 |
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| Molecular Weight | 3282.49 g/mol |
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| Exact Mass | 3280.47 |
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| IUPAC Name | — |
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| SMILES | CC(C)(c1ccnc(-n2[c-]ncn2)n1)c1ccnc(-n2[c-]ncn2)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.Cc1cc(-c2cccc(Oc3cccc(-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/C21H17F3N6.C19H13F3N6.C18H11F3N6O.C17H12N6.C16H10N6O.C15H12N10.6Pt/c1-12-10-15(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;1-11-8-16(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;1-10-8-13(25-24-10)11-4-2-6-16(22-11)28-17-7-3-5-12(23-17)14-9-15(27-26-14)18(19,20)21;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;1-15(2,11-3-5-18-13(22-11)24-9-16-7-20-24)12-4-6-19-14(23-12)25-10-17-8-21-25;;;;;;/h4-11H,1-3H3;2-8,10H,9H2,1H3;2-9H,1H3;1-10H,11H2;1-10H;3-8H,1-2H3;;;;;;/q6*-2;6*+2 |
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| InChIKey | LUYQFNKVURXNAS-UHFFFAOYSA-N |
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| XLogP | 15.99 |
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| TPSA | 530.24 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 32 |
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| Rotatable Bonds | 24 |
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| Heavy Atoms | 163 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3282.49 |
| LogP ≤ 5 | 15.99 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |
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 158583670?
The IUPAC name of CID 158583670 (CID 158583670) is not available.
What is the SMILES notation for CID 158583670?
The canonical SMILES for CID 158583670 is CC(C)(c1ccnc(-n2[c-]ncn2)n1)c1ccnc(-n2[c-]ncn2)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.Cc1cc(-c2cccc(Oc3cccc(-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 158583670?
The InChIKey is LUYQFNKVURXNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6.C19H13F3N6.C18H11F3N6O.C17H12N6.C16H10N6O.C15H12N10.6Pt/c1-12-10-15(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;1-11-8-16(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;1-10-8-13(25-24-10)11-4-2-6-16(22-11)28-17-7-3-5-12(23-17)14-9-15(27-26-14)18(19,20)21;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;1-15(2,11-3-5-18-13(22-11)24-9-16-7-20-24)12-4-6-19-14(23-12)25-10-17-8-21-25;;;;;;/h4-11H,1-3H3;2-8,10H,9H2,1H3;2-9H,1H3;1-10H,11H2;1-10H;3-8H,1-2H3;;;;;;/q6*-2;6*+2.
What are the key properties of CID 158583670?
CID 158583670 has a molecular weight of 3282.49 g/mol, XLogP of 15.99, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158583670 is sourced from PubChem (CID 158583670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).