4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)

C31H14F6N6Pt — CID 59342108

About 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)

4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+) (PubChem CID 59342108) has the molecular formula C31H14F6N6Pt and a molecular weight of 779.56 g/mol. Its IUPAC name is 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+).

Molecular Properties

• Compound Name: 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)
• PubChem CID: 59342108
• Molecular Formula: C31H14F6N6Pt
• Molecular Weight: 779.56 g/mol
• Exact Mass: 779.08
• IUPAC Name: 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)
• SMILES: [C-]#[N+]c1c(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(C#N)c(C(F)(F)F)c4C#N)n3)n2)[c-]cc(C#N)c1C(F)(F)F.[Pt+2]
• InChI: InChI=1S/C31H14F6N6.Pt/c1-29(2,24-8-4-6-22(42-24)19-12-10-17(14-38)26(21(19)16-40)30(32,33)34)25-9-5-7-23(43-25)20-13-11-18(15-39)27(28(20)41-3)31(35,36)37;/h4-11H,1-2H3;/q-2;+2
• InChIKey: QHNOYSUFRLKVAM-UHFFFAOYSA-N
• XLogP: 7.94
• TPSA: 101.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	779.56
LogP ≤ 5	7.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)?

The IUPAC name of 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+) (CID 59342108) is 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+).

What is the SMILES notation for 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)?

The canonical SMILES for 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+) is [C-]#[N+]c1c(-c2cccc(C(C)(C)c3cccc(-c4[c-]cc(C#N)c(C(F)(F)F)c4C#N)n3)n2)[c-]cc(C#N)c1C(F)(F)F.[Pt+2].

What is the InChIKey of 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)?

The InChIKey is QHNOYSUFRLKVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H14F6N6.Pt/c1-29(2,24-8-4-6-22(42-24)19-12-10-17(14-38)26(21(19)16-40)30(32,33)34)25-9-5-7-23(43-25)20-13-11-18(15-39)27(28(20)41-3)31(35,36)37;/h4-11H,1-2H3;/q-2;+2.

What are the key properties of 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+)?

4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+) has a molecular weight of 779.56 g/mol, XLogP of 7.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[2-[6-[4-cyano-2-isocyano-3-(trifluoromethyl)benzene-6-id-1-yl]-2-pyridinyl]propan-2-yl]-2-pyridinyl]-2-(trifluoromethyl)benzene-5-ide-1,3-dicarbonitrile;platinum(2+) is sourced from PubChem (CID 59342108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).