1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)

C₅₉H₄₀F₃N₅Pt — CID 176642540

About 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)

1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+) (PubChem CID 176642540) has the molecular formula C₅₉H₄₀F₃N₅Pt and a molecular weight of 1074.09 g/mol. Its IUPAC name is 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+).

Molecular Properties

• Compound Name: 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)
• PubChem CID: 176642540
• Molecular Formula: C₅₉H₄₀F₃N₅Pt
• Molecular Weight: 1074.09 g/mol
• Exact Mass: 1073.31
• IUPAC Name: 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cc(-c2nc3c(-c4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(F)(F)F)ccn4)cccc3n2-c2ccccc2)c2[n-]c3cccc(C(C)(C)c4ccccc4)c3c2c1.[Pt+2]
• InChI: InChI=1S/C59H40F3N5.Pt/c1-36-31-46-54-48(58(2,3)40-17-9-5-10-18-40)22-14-23-49(54)64-55(46)47(32-36)57-65-56-43(21-13-24-51(56)66(57)42-19-11-6-12-20-42)39-25-27-44-45-33-38(37-15-7-4-8-16-37)26-28-50(45)67(52(44)34-39)53-35-41(29-30-63-53)59(60,61)62;/h4-33,35H,1-3H3;/q-2;+2/i1D3
• InChIKey: OYEUBHWNKXLKJV-NIIDSAIPSA-N
• XLogP: 15.23
• TPSA: 49.74 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.09
LogP ≤ 5	15.23
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-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)?

The IUPAC name of 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+) (CID 176642540) is 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+).

What is the SMILES notation for 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)?

The canonical SMILES for 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+) is [2H]C([2H])([2H])c1cc(-c2nc3c(-c4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(F)(F)F)ccn4)cccc3n2-c2ccccc2)c2[n-]c3cccc(C(C)(C)c4ccccc4)c3c2c1.[Pt+2].

What is the InChIKey of 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)?

The InChIKey is OYEUBHWNKXLKJV-NIIDSAIPSA-N. The full InChI is InChI=1S/C59H40F3N5.Pt/c1-36-31-46-54-48(58(2,3)40-17-9-5-10-18-40)22-14-23-49(54)64-55(46)47(32-36)57-65-56-43(21-13-24-51(56)66(57)42-19-11-6-12-20-42)39-25-27-44-45-33-38(37-15-7-4-8-16-37)26-28-50(45)67(52(44)34-39)53-35-41(29-30-63-53)59(60,61)62;/h4-33,35H,1-3H3;/q-2;+2/i1D3;.

What are the key properties of 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+)?

1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+) has a molecular weight of 1074.09 g/mol, XLogP of 15.23, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-phenyl-4-[6-phenyl-9-[4-(trifluoromethyl)-2-pyridinyl]-1H-carbazol-1-id-2-yl]benzimidazol-2-yl]-5-(2-phenylpropan-2-yl)-3-(trideuteriomethyl)carbazol-9-ide;platinum(2+) is sourced from PubChem (CID 176642540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 176642540 — identifiers, structure, computed properties (public domain)

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