About CID 160733845
CID 160733845 (PubChem CID 160733845) has the molecular formula C98H68F6N46O2Pt6
and a molecular weight of 3206.40 g/mol.
Molecular Properties
| Compound Name | CID 160733845 |
|---|
| PubChem CID | 160733845 |
|---|
| Molecular Formula | C98H68F6N46O2Pt6 |
|---|
| Molecular Weight | 3206.40 g/mol |
|---|
| Exact Mass | 3204.44 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC(C)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.CC(C)(c1ccnc(-n2[c-]ncn2)n1)c1ccnc(-n2[c-]ncn2)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].[c-]1ncnn1-c1nccc(Cc2ccnc(-n3[c-]ncn3)n2)n1.[c-]1ncnn1-c1nccc(Oc2ccnc(-n3[c-]ncn3)n2)n1 |
|---|
| InChI | InChI=1S/C21H18N4.C19H13F3N6.C18H11F3N6O.C15H12N10.C13H8N10.C12H6N10O.6Pt/c1-21(2,17-7-3-9-19(15-17)24-13-5-11-22-24)18-8-4-10-20(16-18)25-14-6-12-23-25;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;1-15(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;1-3-16-12(22-8-14-6-18-22)20-10(1)5-11-2-4-17-13(21-11)23-9-15-7-19-23;1-3-15-11(21-7-13-5-17-21)19-9(1)23-10-2-4-16-12(20-10)22-8-14-6-18-22;;;;;;/h3-14H,1-2H3;2-8,10H,9H2,1H3;2-9H,1H3;3-8H,1-2H3;1-4,6-7H,5H2;1-6H;;;;;;/q6*-2;6*+2 |
|---|
| InChIKey | QLLXTTMDWDAQKZ-UHFFFAOYSA-N |
|---|
| XLogP | 10.83 |
|---|
| TPSA | 552.56 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 44 |
|---|
| Rotatable Bonds | 24 |
|---|
| Heavy Atoms | 158 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3206.40 |
| LogP ≤ 5 | 10.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze CID 160733845 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 160733845?
The IUPAC name of CID 160733845 (CID 160733845) is not available.
What is the SMILES notation for CID 160733845?
The canonical SMILES for CID 160733845 is CC(C)(c1[c-]c(-n2cccn2)ccc1)c1[c-]c(-n2cccn2)ccc1.CC(C)(c1ccnc(-n2[c-]ncn2)n1)c1ccnc(-n2[c-]ncn2)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].[c-]1ncnn1-c1nccc(Cc2ccnc(-n3[c-]ncn3)n2)n1.[c-]1ncnn1-c1nccc(Oc2ccnc(-n3[c-]ncn3)n2)n1.
What is the InChIKey of CID 160733845?
The InChIKey is QLLXTTMDWDAQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4.C19H13F3N6.C18H11F3N6O.C15H12N10.C13H8N10.C12H6N10O.6Pt/c1-21(2,17-7-3-9-19(15-17)24-13-5-11-22-24)18-8-4-10-20(16-18)25-14-6-12-23-25;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;1-15(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;1-3-16-12(22-8-14-6-18-22)20-10(1)5-11-2-4-17-13(21-11)23-9-15-7-19-23;1-3-15-11(21-7-13-5-17-21)19-9(1)23-10-2-4-16-12(20-10)22-8-14-6-18-22;;;;;;/h3-14H,1-2H3;2-8,10H,9H2,1H3;2-9H,1H3;3-8H,1-2H3;1-4,6-7H,5H2;1-6H;;;;;;/q6*-2;6*+2.
What are the key properties of CID 160733845?
CID 160733845 has a molecular weight of 3206.40 g/mol, XLogP of 10.83, 24 rotatable bonds, 0 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160733845 is sourced from PubChem (CID 160733845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).