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

C31H14F12N4Pt — CID 59342292

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

3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+) (PubChem CID 59342292) has the molecular formula C31H14F12N4Pt and a molecular weight of 865.53 g/mol. Its IUPAC name is 3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+)
• PubChem CID: 59342292
• Molecular Formula: C31H14F12N4Pt
• Molecular Weight: 865.53 g/mol
• Exact Mass: 865.07
• IUPAC Name: 3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+)
• SMILES: [C-]#[N+]c1c(C(F)(F)F)c[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(C(F)(F)F)c(C#N)c4C(F)(F)F)n3)n2)c1C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C31H14F12N4.Pt/c1-27(2,22-8-4-6-20(46-22)15-10-12-18(28(32,33)34)17(14-44)24(15)30(38,39)40)23-9-5-7-21(47-23)16-11-13-19(29(35,36)37)26(45-3)25(16)31(41,42)43;/h4-9,12-13H,1-2H3;/q-2;+2
• InChIKey: WZFLQABLELDMOW-UHFFFAOYSA-N
• XLogP: 10.23
• TPSA: 53.93 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.53
LogP ≤ 5	10.23
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-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+)?

The IUPAC name of 3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+) (CID 59342292) is 3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+).

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

The canonical SMILES for 3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+) is [C-]#[N+]c1c(C(F)(F)F)c[c-]c(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(C(F)(F)F)c(C#N)c4C(F)(F)F)n3)n2)c1C(F)(F)F.[Pt+2].

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

The InChIKey is WZFLQABLELDMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H14F12N4.Pt/c1-27(2,22-8-4-6-20(46-22)15-10-12-18(28(32,33)34)17(14-44)24(15)30(38,39)40)23-9-5-7-21(47-23)16-11-13-19(29(35,36)37)26(45-3)25(16)31(41,42)43;/h4-9,12-13H,1-2H3;/q-2;+2.

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

3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+) has a molecular weight of 865.53 g/mol, XLogP of 10.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[6-[3-isocyano-2,4-bis(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2,6-bis(trifluoromethyl)benzene-4-ide-1-carbonitrile;platinum(2+) is sourced from PubChem (CID 59342292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).