About CID 157174832
CID 157174832 (PubChem CID 157174832) has the molecular formula C131H101F3N30Pt5
and a molecular weight of 3127.84 g/mol.
Molecular Properties
| Compound Name | CID 157174832 |
|---|
| PubChem CID | 157174832 |
|---|
| Molecular Formula | C131H101F3N30Pt5 |
|---|
| Molecular Weight | 3127.84 g/mol |
|---|
| Exact Mass | 3125.70 |
|---|
| IUPAC Name | — |
|---|
| SMILES | CC(C)(c1cccc(-n2[c-]cc(-c3ccccc3)n2)n1)c1cccc(-n2[c-]cc(-c3ccccc3)n2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cc1c[c-]n(-c2cccc(C(C)(c3ccccc3)c3cccc(-n4[c-]cc(C)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+4].[c-]1c2cccc1CN1C=CN([CH-]1)Cc1[c-]c(ccc1)CN1C=CN([CH-]1)C2 |
|---|
| InChI | InChI=1S/C31H18N8.C31H24N6.C26H22N6.C22H20N4.C21H17F3N6.5Pt/c1-33-28-19-21-39(37-28)30-17-9-15-27(35-30)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)26-14-8-16-29(34-26)38-20-18-25(22-32)36-38;1-31(2,27-15-9-17-29(32-27)36-21-19-25(34-36)23-11-5-3-6-12-23)28-16-10-18-30(33-28)37-22-20-26(35-37)24-13-7-4-8-14-24;1-19-15-17-31(29-19)24-13-7-11-22(27-24)26(3,21-9-5-4-6-10-21)23-12-8-14-25(28-23)32-18-16-20(2)30-32;1-3-19-11-20(4-1)14-24-8-10-26(18-24)16-22-6-2-5-21(12-22)15-25-9-7-23(13-19)17-25;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;;;;;/h2-19H;3-20H,1-2H3;4-16H,1-3H3;1-10,17-18H,13-16H2;4-11H,1-3H3;;;;;/q3*-2;-4;-2;4*+2;+4 |
|---|
| InChIKey | GZKCRFCFFNAHDT-UHFFFAOYSA-N |
|---|
| XLogP | 23.29 |
|---|
| TPSA | 286.79 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 29 |
|---|
| Rotatable Bonds | 21 |
|---|
| Heavy Atoms | 169 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3127.84 |
| LogP ≤ 5 | 23.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|
Analyze CID 157174832 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 157174832?
The IUPAC name of CID 157174832 (CID 157174832) is not available.
What is the SMILES notation for CID 157174832?
The canonical SMILES for CID 157174832 is CC(C)(c1cccc(-n2[c-]cc(-c3ccccc3)n2)n1)c1cccc(-n2[c-]cc(-c3ccccc3)n2)n1.Cc1c[c-]n(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)n1.Cc1c[c-]n(-c2cccc(C(C)(c3ccccc3)c3cccc(-n4[c-]cc(C)n4)n3)n2)n1.[C-]#[N+]c1c[c-]n(-c2cccc(C(c3ccccc3)(c3ccccc3)c3cccc(-n4[c-]cc(C#N)n4)n3)n2)n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+4].[c-]1c2cccc1CN1C=CN([CH-]1)Cc1[c-]c(ccc1)CN1C=CN([CH-]1)C2.
What is the InChIKey of CID 157174832?
The InChIKey is GZKCRFCFFNAHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18N8.C31H24N6.C26H22N6.C22H20N4.C21H17F3N6.5Pt/c1-33-28-19-21-39(37-28)30-17-9-15-27(35-30)31(23-10-4-2-5-11-23,24-12-6-3-7-13-24)26-14-8-16-29(34-26)38-20-18-25(22-32)36-38;1-31(2,27-15-9-17-29(32-27)36-21-19-25(34-36)23-11-5-3-6-12-23)28-16-10-18-30(33-28)37-22-20-26(35-37)24-13-7-4-8-14-24;1-19-15-17-31(29-19)24-13-7-11-22(27-24)26(3,21-9-5-4-6-10-21)23-12-8-14-25(28-23)32-18-16-20(2)30-32;1-3-19-11-20(4-1)14-24-8-10-26(18-24)16-22-6-2-5-21(12-22)15-25-9-7-23(13-19)17-25;1-14-10-12-29(27-14)18-8-4-6-15(25-18)20(2,3)16-7-5-9-19(26-16)30-13-11-17(28-30)21(22,23)24;;;;;/h2-19H;3-20H,1-2H3;4-16H,1-3H3;1-10,17-18H,13-16H2;4-11H,1-3H3;;;;;/q3*-2;-4;-2;4*+2;+4.
What are the key properties of CID 157174832?
CID 157174832 has a molecular weight of 3127.84 g/mol, XLogP of 23.29, 21 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157174832 is sourced from PubChem (CID 157174832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).