2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

C40H26F5N3Pt — CID 59645957

About 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)

2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (PubChem CID 59645957) has the molecular formula C40H26F5N3Pt and a molecular weight of 838.74 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

Molecular Properties

• Compound Name: 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• PubChem CID: 59645957
• Molecular Formula: C40H26F5N3Pt
• Molecular Weight: 838.74 g/mol
• Exact Mass: 838.17
• IUPAC Name: 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)
• SMILES: [C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(c4[c-]ccc(C(F)(F)F)c4)(c4ccccc4)c4ccccc4)n3)n2)c1F.[Pt+2]
• InChI: InChI=1S/C40H26F5N3.Pt/c1-38(2,33-20-11-19-32(47-33)30-23-24-31(41)37(46-3)36(30)42)34-21-12-22-35(48-34)39(26-13-6-4-7-14-26,27-15-8-5-9-16-27)28-17-10-18-29(25-28)40(43,44)45;/h4-16,18-22,24-25H,1-2H3;/q-2;+2
• InChIKey: QDYWPQPXTICZBO-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 30.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	838.74
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The IUPAC name of 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) (CID 59645957) is 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+).

What is the SMILES notation for 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The canonical SMILES for 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is [C-]#[N+]c1c(F)c[c-]c(-c2cccc(C(C)(C)c3cccc(C(c4[c-]ccc(C(F)(F)F)c4)(c4ccccc4)c4ccccc4)n3)n2)c1F.[Pt+2].

What is the InChIKey of 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

The InChIKey is QDYWPQPXTICZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26F5N3.Pt/c1-38(2,33-20-11-19-32(47-33)30-23-24-31(41)37(46-3)36(30)42)34-21-12-22-35(48-34)39(26-13-6-4-7-14-26,27-15-8-5-9-16-27)28-17-10-18-29(25-28)40(43,44)45;/h4-16,18-22,24-25H,1-2H3;/q-2;+2.

What are the key properties of 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+)?

2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) has a molecular weight of 838.74 g/mol, XLogP of 10.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)-6-[2-[6-[diphenyl-[3-(trifluoromethyl)benzene-6-id-1-yl]methyl]-2-pyridinyl]propan-2-yl]pyridine;platinum(2+) is sourced from PubChem (CID 59645957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).