3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)

C39H27F2N3Pt — CID 59645857

About 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)

3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+) (PubChem CID 59645857) has the molecular formula C39H27F2N3Pt and a molecular weight of 770.74 g/mol. Its IUPAC name is 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)
• PubChem CID: 59645857
• Molecular Formula: C39H27F2N3Pt
• Molecular Weight: 770.74 g/mol
• Exact Mass: 770.18
• IUPAC Name: 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)
• SMILES: CC(C)(c1[c-]ccc(C#N)c1)c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cc(F)cc3F)n2)n1.[Pt+2]
• InChI: InChI=1S/C39H27F2N3.Pt/c1-38(2,30-17-9-12-27(24-30)26-42)35-19-11-21-37(44-35)39(28-13-5-3-6-14-28,29-15-7-4-8-16-29)36-20-10-18-34(43-36)32-23-22-31(40)25-33(32)41;/h3-16,18-22,24-25H,1-2H3;/q-2;+2
• InChIKey: WRSWTIFKNWWBDM-UHFFFAOYSA-N
• XLogP: 8.60
• TPSA: 49.57 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.74
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)?

The IUPAC name of 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+) (CID 59645857) is 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+).

What is the SMILES notation for 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)?

The canonical SMILES for 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+) is CC(C)(c1[c-]ccc(C#N)c1)c1cccc(C(c2ccccc2)(c2ccccc2)c2cccc(-c3[c-]cc(F)cc3F)n2)n1.[Pt+2].

What is the InChIKey of 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)?

The InChIKey is WRSWTIFKNWWBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27F2N3.Pt/c1-38(2,30-17-9-12-27(24-30)26-42)35-19-11-21-37(44-35)39(28-13-5-3-6-14-28,29-15-7-4-8-16-29)36-20-10-18-34(43-36)32-23-22-31(40)25-33(32)41;/h3-16,18-22,24-25H,1-2H3;/q-2;+2.

What are the key properties of 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+)?

3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+) has a molecular weight of 770.74 g/mol, XLogP of 8.60, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[6-[[6-(2,4-difluorobenzene-6-id-1-yl)-2-pyridinyl]-diphenylmethyl]-2-pyridinyl]propan-2-yl]benzene-4-ide-1-carbonitrile;platinum(2+) is sourced from PubChem (CID 59645857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).