Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide

C₄₀H₃₂F₃N₉Pt — CID 155650437

About Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide

Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide (PubChem CID 155650437) has the molecular formula C₄₀H₃₂F₃N₉Pt and a molecular weight of 896.87 g/mol. Its IUPAC name is platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide.

Molecular Properties

• Compound Name: Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide
• PubChem CID: 155650437
• Molecular Formula: C₄₀H₃₂F₃N₉Pt
• Molecular Weight: 896.87 g/mol
• Exact Mass: 896.28
• IUPAC Name: platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide
• SMILES: FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(N3[CH-]N(C([2H])([2H])[2H])c4nccnc43)cc(-c3c(C)cc(C)cc3C)c2)c2nccnc21.[Pt+4]
• InChI: InChI=1S/C27H25N8.C13H7F3N.Pt/c1-17-10-18(2)23(19(3)11-17)20-12-21(34-15-32(4)24-26(34)30-8-6-28-24)14-22(13-20)35-16-33(5)25-27(35)31-9-7-29-25;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-13,15-16H,1-5H3;1-7H;/q-3;-1;+4/i4D3,5D3
• InChIKey: UNOCTZTZHQXSSL-SMONVQGESA-N
• XLogP: 9.04
• TPSA: 78.62 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	896.87
LogP ≤ 5	9.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide?

The IUPAC name of Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide (CID 155650437) is platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide.

What is the SMILES notation for Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide?

The canonical SMILES for Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide is FC(F)(F)c1ccc2[n-]c3ccccc3c2c1.[2H]C([2H])([2H])N1[CH-]N(c2[c-]c(N3[CH-]N(C([2H])([2H])[2H])c4nccnc43)cc(-c3c(C)cc(C)cc3C)c2)c2nccnc21.[Pt+4].

What is the InChIKey of Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide?

The InChIKey is UNOCTZTZHQXSSL-SMONVQGESA-N. The full InChI is InChI=1S/C27H25N8.C13H7F3N.Pt/c1-17-10-18(2)23(19(3)11-17)20-12-21(34-15-32(4)24-26(34)30-8-6-28-24)14-22(13-20)35-16-33(5)25-27(35)31-9-7-29-25;14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12;/h6-13,15-16H,1-5H3;1-7H;/q-3;-1;+4/i4D3,5D3;;.

What are the key properties of Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide?

Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide has a molecular weight of 896.87 g/mol, XLogP of 9.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Platinum(4+);3-(trideuteriomethyl)-1-[3-[3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-2-id-1-yl]-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyrazin-2-ide;3-(trifluoromethyl)carbazol-9-ide is sourced from PubChem (CID 155650437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155650437 — identifiers, structure, computed properties (public domain)

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