1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide

C33H24F3N5Pt — CID 177105696

About 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide

1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide (PubChem CID 177105696) has the molecular formula C33H24F3N5Pt and a molecular weight of 742.66 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide.

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide
• PubChem CID: 177105696
• Molecular Formula: C33H24F3N5Pt
• Molecular Weight: 742.66 g/mol
• Exact Mass: 742.16
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide
• SMILES: CN1C=CN(c2[c-]c(N3C=CN(c4c(-c5ccccc5)cccc4-c4ccccc4)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.[C-]#N.[Pt+4]
• InChI: InChI=1S/C32H24F3N4.CN.Pt/c1-36-15-16-37(22-36)27-19-26(32(33,34)35)20-28(21-27)38-17-18-39(23-38)31-29(24-9-4-2-5-10-24)13-8-14-30(31)25-11-6-3-7-12-25;1-2;/h2-20,22-23H,1H3;;/q-3;-1;+4
• InChIKey: KXAGWAGHZSQXGQ-UHFFFAOYSA-N
• XLogP: 8.19
• TPSA: 36.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.66
LogP ≤ 5	8.19
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 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide (CID 177105696) is 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide.

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide is CN1C=CN(c2[c-]c(N3C=CN(c4c(-c5ccccc5)cccc4-c4ccccc4)[CH-]3)cc(C(F)(F)F)c2)[CH-]1.[C-]#N.[Pt+4].

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

The InChIKey is KXAGWAGHZSQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N4.CN.Pt/c1-36-15-16-37(22-36)27-19-26(32(33,34)35)20-28(21-27)38-17-18-39(23-38)31-29(24-9-4-2-5-10-24)13-8-14-30(31)25-11-6-3-7-12-25;1-2;/h2-20,22-23H,1H3;;/q-3;-1;+4.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide?

1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide has a molecular weight of 742.66 g/mol, XLogP of 8.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide;platinum(4+);cyanide is sourced from PubChem (CID 177105696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).