1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)

C34H22F3N5Pt — CID 59645697

About 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)

1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+) (PubChem CID 59645697) has the molecular formula C34H22F3N5Pt and a molecular weight of 752.66 g/mol. Its IUPAC name is 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+).

Molecular Properties

• Compound Name: 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)
• PubChem CID: 59645697
• Molecular Formula: C34H22F3N5Pt
• Molecular Weight: 752.66 g/mol
• Exact Mass: 752.15
• IUPAC Name: 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)
• SMILES: [C-]#[N+]c1cc[c-]c(-n2cc(-c3ccccc3)c(CCc3nn(-c4[c-]ccc(C(F)(F)F)c4)cc3-c3ccccc3)n2)c1.[Pt+2]
• InChI: InChI=1S/C34H22F3N5.Pt/c1-38-27-15-9-17-29(21-27)42-23-31(25-12-6-3-7-13-25)33(40-42)19-18-32-30(24-10-4-2-5-11-24)22-41(39-32)28-16-8-14-26(20-28)34(35,36)37;/h2-15,20-23H,18-19H2;/q-2;+2
• InChIKey: VNMZZEKIMJJYFM-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 40.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.66
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)?

The IUPAC name of 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+) (CID 59645697) is 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+).

What is the SMILES notation for 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)?

The canonical SMILES for 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+) is [C-]#[N+]c1cc[c-]c(-n2cc(-c3ccccc3)c(CCc3nn(-c4[c-]ccc(C(F)(F)F)c4)cc3-c3ccccc3)n2)c1.[Pt+2].

What is the InChIKey of 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)?

The InChIKey is VNMZZEKIMJJYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22F3N5.Pt/c1-38-27-15-9-17-29(21-27)42-23-31(25-12-6-3-7-13-25)33(40-42)19-18-32-30(24-10-4-2-5-11-24)22-41(39-32)28-16-8-14-26(20-28)34(35,36)37;/h2-15,20-23H,18-19H2;/q-2;+2.

What are the key properties of 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+)?

1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+) has a molecular weight of 752.66 g/mol, XLogP of 8.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-isocyanobenzene-6-id-1-yl)-4-phenyl-3-[2-[4-phenyl-1-[3-(trifluoromethyl)benzene-6-id-1-yl]pyrazol-3-yl]ethyl]pyrazole;platinum(2+) is sourced from PubChem (CID 59645697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).