About CID 158337262
CID 158337262 (PubChem CID 158337262) has the molecular formula C124H100F8N16O6Pt5
and a molecular weight of 3037.64 g/mol.
Molecular Properties
| Compound Name | CID 158337262 |
|---|
| PubChem CID | 158337262 |
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| Molecular Formula | C124H100F8N16O6Pt5 |
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| Molecular Weight | 3037.64 g/mol |
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| Exact Mass | 3035.61 |
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| IUPAC Name | — |
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| SMILES | CC1(C)[N-]C(C)(C)C2CCCC([N-]2)C(C)(C)[N-]C(C)(C)C2CCCC1[N-]2.CC1(C)c2[c-]c(n(-c3ccccc3)n2)-c2cccc(n2)C(C)(C)c2[c-]c(n(-c3ccccc3)n2)-c2cccc1n2.Cc1cc2nc(c1)-c1[c-]c(c(F)cc1F)Oc1cc(C)cc(n1)-c1[c-]c(c(F)cc1F)O2.Fc1cc(F)c2[c-]c1Oc1cccc(n1)-c1[c-]c(c(F)cc1F)Oc1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+4].[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2 |
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| InChI | InChI=1S/C34H28N6.C24H12F4N2O2.C22H8F4N2O2.C22H40N4.C22H12N2O2.5Pt/c1-33(2)29-19-11-17-25(35-29)28-22-32(38-40(28)24-15-9-6-10-16-24)34(3,4)30-20-12-18-26(36-30)27-21-31(33)37-39(27)23-13-7-5-8-14-23;1-11-3-19-13-7-22(18(28)9-15(13)25)32-24-6-12(2)4-20(30-24)14-8-21(17(27)10-16(14)26)31-23(5-11)29-19;23-13-9-16(26)20-7-11(13)17-3-1-5-21(27-17)29-19-8-12(14(24)10-15(19)25)18-4-2-6-22(28-18)30-20;1-19(2)15-11-9-12-17(23-15)21(5,6)26-22(7,8)18-14-10-13-16(24-18)20(3,4)25-19;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;;;;;/h5-20H,1-4H3;3-6,9-10H,1-2H3;1-6,9-10H;15-18H,9-14H2,1-8H3;1-12H;;;;;/q3*-2;-4;-2;4*+2;+4 |
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| InChIKey | ACDFEJXHURKXEP-UHFFFAOYSA-N |
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| XLogP | 30.84 |
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| TPSA | 250.54 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 159 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3037.64 |
| LogP ≤ 5 | 30.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
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 158337262?
The IUPAC name of CID 158337262 (CID 158337262) is not available.
What is the SMILES notation for CID 158337262?
The canonical SMILES for CID 158337262 is CC1(C)[N-]C(C)(C)C2CCCC([N-]2)C(C)(C)[N-]C(C)(C)C2CCCC1[N-]2.CC1(C)c2[c-]c(n(-c3ccccc3)n2)-c2cccc(n2)C(C)(C)c2[c-]c(n(-c3ccccc3)n2)-c2cccc1n2.Cc1cc2nc(c1)-c1[c-]c(c(F)cc1F)Oc1cc(C)cc(n1)-c1[c-]c(c(F)cc1F)O2.Fc1cc(F)c2[c-]c1Oc1cccc(n1)-c1[c-]c(c(F)cc1F)Oc1cccc-2n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+4].[c-]1c2cccc1-c1cccc(n1)Oc1cccc(n1)-c1[c-]c(ccc1)O2.
What is the InChIKey of CID 158337262?
The InChIKey is ACDFEJXHURKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N6.C24H12F4N2O2.C22H8F4N2O2.C22H40N4.C22H12N2O2.5Pt/c1-33(2)29-19-11-17-25(35-29)28-22-32(38-40(28)24-15-9-6-10-16-24)34(3,4)30-20-12-18-26(36-30)27-21-31(33)37-39(27)23-13-7-5-8-14-23;1-11-3-19-13-7-22(18(28)9-15(13)25)32-24-6-12(2)4-20(30-24)14-8-21(17(27)10-16(14)26)31-23(5-11)29-19;23-13-9-16(26)20-7-11(13)17-3-1-5-21(27-17)29-19-8-12(14(24)10-15(19)25)18-4-2-6-22(28-18)30-20;1-19(2)15-11-9-12-17(23-15)21(5,6)26-22(7,8)18-14-10-13-16(24-18)20(3,4)25-19;1-5-15-13-17(7-1)25-18-8-2-6-16(14-18)20-10-4-12-22(24-20)26-21-11-3-9-19(15)23-21;;;;;/h5-20H,1-4H3;3-6,9-10H,1-2H3;1-6,9-10H;15-18H,9-14H2,1-8H3;1-12H;;;;;/q3*-2;-4;-2;4*+2;+4.
What are the key properties of CID 158337262?
CID 158337262 has a molecular weight of 3037.64 g/mol, XLogP of 30.84, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158337262 is sourced from PubChem (CID 158337262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).