2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C26H22F2N2Pt — CID 59645883

About 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 59645883) has the molecular formula C26H22F2N2Pt and a molecular weight of 595.55 g/mol. Its IUPAC name is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 59645883
• Molecular Formula: C26H22F2N2Pt
• Molecular Weight: 595.55 g/mol
• Exact Mass: 595.14
• IUPAC Name: 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• SMILES: CC1(C)[C-]=C(c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)C=C1.[Pt+2]
• InChI: InChI=1S/C26H22F2N2.Pt/c1-25(2)14-13-17(16-25)21-7-5-9-23(29-21)26(3,4)24-10-6-8-22(30-24)19-12-11-18(27)15-20(19)28;/h5-11,13-15H,1-4H3;/q-2;+2
• InChIKey: AUCJUXVLZRDXEW-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	595.55
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 59645883) is 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is CC1(C)[C-]=C(c2cccc(C(C)(C)c3cccc(-c4[c-]cc(F)cc4F)n3)n2)C=C1.[Pt+2].

What is the InChIKey of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The InChIKey is AUCJUXVLZRDXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2.Pt/c1-25(2)14-13-17(16-25)21-7-5-9-23(29-21)26(3,4)24-10-6-8-22(30-24)19-12-11-18(27)15-20(19)28;/h5-11,13-15H,1-4H3;/q-2;+2.

What are the key properties of 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 595.55 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluorobenzene-6-id-1-yl)-6-[2-[6-(3,3-dimethylcyclopenta-1,4-dien-1-yl)-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 59645883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).