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

C26H18N5Pt+ — CID 59357331

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

1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+) (PubChem CID 59357331) has the molecular formula C26H18N5Pt+ and a molecular weight of 595.54 g/mol. Its IUPAC name is 1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+)
• PubChem CID: 59357331
• Molecular Formula: C26H18N5Pt+
• Molecular Weight: 595.54 g/mol
• Exact Mass: 595.12
• IUPAC Name: 1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+)
• SMILES: [C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-[n+]4[c-]ccc(C#N)c4)n3)n2)c1.[Pt+2]
• InChI: InChI=1S/C26H18N5.Pt/c1-26(2,23-12-5-11-22(29-23)20-9-4-10-21(16-20)28-3)24-13-6-14-25(30-24)31-15-7-8-19(17-27)18-31;/h4-8,10-14,16,18H,1-2H3;/q-1;+2
• InChIKey: IFNWWKPBQDECPR-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 57.81 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.54
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+) (CID 59357331) is 1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+).

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

The canonical SMILES for 1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+) is [C-]#[N+]c1cc[c-]c(-c2cccc(C(C)(C)c3cccc(-[n+]4[c-]ccc(C#N)c4)n3)n2)c1.[Pt+2].

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

The InChIKey is IFNWWKPBQDECPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N5.Pt/c1-26(2,23-12-5-11-22(29-23)20-9-4-10-21(16-20)28-3)24-13-6-14-25(30-24)31-15-7-8-19(17-27)18-31;/h4-8,10-14,16,18H,1-2H3;/q-1;+2.

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

1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+) has a molecular weight of 595.54 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[2-[6-(3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2H-pyridin-1-ium-2-ide-5-carbonitrile;platinum(2+) is sourced from PubChem (CID 59357331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).