bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

C125H119F3N31Pt5-3 — CID 158976340

About bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene

bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (PubChem CID 158976340) has the molecular formula C125H119F3N31Pt5-3 and a molecular weight of 3087.93 g/mol. Its IUPAC name is bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

Molecular Properties

• Compound Name: bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
• PubChem CID: 158976340
• Molecular Formula: C125H119F3N31Pt5-3
• Molecular Weight: 3087.93 g/mol
• Exact Mass: 3085.85
• IUPAC Name: bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene
• SMILES: CC12CCC(c3c1n[n-]c3-c1[c-]cccc1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt]
• InChI: InChI=1S/2C20H20N3.C17H18N2.C16H18N3.C9H5F3N3.3C9H8N3.2C8H7N4.5Pt/c2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;1-16(2)12-9-10-17(16,3)15-13(12)14(18-19-15)11-7-5-4-6-8-11;1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;;;/h2*4-7,10-11,14H,8-9H2,1-3H3;4-7,12H,9-10H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;1-5H;3*2-6H,1H3;2*2-5H,1H3;;;;;/q2*-1;-2;7*-1;;4*+2
• InChIKey: AXFHHQBMCCWGFN-UHFFFAOYSA-N
• XLogP: 23.76
• TPSA: 411.69 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 10
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3087.93
LogP ≤ 5	23.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The IUPAC name of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene (CID 158976340) is bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene.

What is the SMILES notation for bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The canonical SMILES for bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is CC12CCC(c3c1n[n-]c3-c1[c-]cccc1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1cc3ccccc3cn1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1ccccn1)C2(C)C.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.Cc1cc(-c2cnccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt].

What is the InChIKey of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

The InChIKey is AXFHHQBMCCWGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H20N3.C17H18N2.C16H18N3.C9H5F3N3.3C9H8N3.2C8H7N4.5Pt/c2*1-19(2)14-8-9-20(19,3)18-16(14)17(22-23-18)15-10-12-6-4-5-7-13(12)11-21-15;1-16(2)12-9-10-17(16,3)15-13(12)14(18-19-15)11-7-5-4-6-8-11;1-15(2)10-7-8-16(15,3)14-12(10)13(18-19-14)11-6-4-5-9-17-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;3*1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-6-4-7(12-11-6)8-5-9-2-3-10-8;;;;;/h2*4-7,10-11,14H,8-9H2,1-3H3;4-7,12H,9-10H2,1-3H3;4-6,9-10H,7-8H2,1-3H3;1-5H;3*2-6H,1H3;2*2-5H,1H3;;;;;/q2*-1;-2;7*-1;;4*+2.

What are the key properties of bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene?

bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene has a molecular weight of 3087.93 g/mol, XLogP of 23.76, 10 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-isoquinolin-3-yl-1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene);bis(2-(5-methylpyrazol-2-id-3-yl)pyrazine);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine);platinum;tetrakis(platinum(2+));2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;1,10,10-trimethyl-5-phenyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene;1,10,10-trimethyl-5-pyridin-2-yl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-diene is sourced from PubChem (CID 158976340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).