6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)

C24H14F3N7Pt — CID 59399810

About 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)

6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+) (PubChem CID 59399810) has the molecular formula C24H14F3N7Pt and a molecular weight of 652.50 g/mol. Its IUPAC name is 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)
• PubChem CID: 59399810
• Molecular Formula: C24H14F3N7Pt
• Molecular Weight: 652.50 g/mol
• Exact Mass: 652.09
• IUPAC Name: 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)
• SMILES: [C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1C#N.[Pt+2]
• InChI: InChI=1S/C24H14F3N7.Pt/c1-23(2,19-8-5-9-21(32-19)34-13-12-20(33-34)24(25,26)27)18-7-4-6-16(30-18)17-11-10-15(14-28)22(29-3)31-17;/h4-10,12H,1-2H3;/q-2;+2
• InChIKey: AORQHWFNVWBVNG-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 84.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.50
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)?

The IUPAC name of 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+) (CID 59399810) is 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+).

What is the SMILES notation for 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)?

The canonical SMILES for 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+) is [C-]#[N+]c1nc(-c2cccc(C(C)(C)c3cccc(-n4[c-]cc(C(F)(F)F)n4)n3)n2)[c-]cc1C#N.[Pt+2].

What is the InChIKey of 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)?

The InChIKey is AORQHWFNVWBVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F3N7.Pt/c1-23(2,19-8-5-9-21(32-19)34-13-12-20(33-34)24(25,26)27)18-7-4-6-16(30-18)17-11-10-15(14-28)22(29-3)31-17;/h4-10,12H,1-2H3;/q-2;+2.

What are the key properties of 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+)?

6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+) has a molecular weight of 652.50 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-isocyano-2-[6-[2-[6-[3-(trifluoromethyl)-5H-pyrazol-5-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-3H-pyridin-3-ide-5-carbonitrile;platinum(2+) is sourced from PubChem (CID 59399810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).