2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

C56H40N4Pt — CID 167399237

About 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)

2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (PubChem CID 167399237) has the molecular formula C56H40N4Pt and a molecular weight of 967.06 g/mol. Its IUPAC name is 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

• Compound Name: 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• PubChem CID: 167399237
• Molecular Formula: C56H40N4Pt
• Molecular Weight: 967.06 g/mol
• Exact Mass: 966.31
• IUPAC Name: 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])N1CN(c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4-c4ccccc4)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[Pt+2]
• InChI: InChI=1S/C56H40N4.Pt/c1-58-39-59(53-31-16-15-30-52(53)58)46-25-17-24-44(37-46)56(42-20-7-3-8-21-42,43-22-9-4-10-23-43)45-32-33-50-49-28-13-14-29-51(49)60(54(50)38-45)55-36-41(34-35-57-55)48-27-12-11-26-47(48)40-18-5-2-6-19-40;/h2-36H,39H2,1H3;/q-2;+2/i1D3
• InChIKey: WNVWWIOEYLGVEO-NIIDSAIPSA-N
• XLogP: 13.04
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.06
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The IUPAC name of 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) (CID 167399237) is 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+).

What is the SMILES notation for 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The canonical SMILES for 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is [2H]C([2H])([2H])N1CN(c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4-c4ccccc4)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[Pt+2].

What is the InChIKey of 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

The InChIKey is WNVWWIOEYLGVEO-NIIDSAIPSA-N. The full InChI is InChI=1S/C56H40N4.Pt/c1-58-39-59(53-31-16-15-30-52(53)58)46-25-17-24-44(37-46)56(42-20-7-3-8-21-42,43-22-9-4-10-23-43)45-32-33-50-49-28-13-14-29-51(49)60(54(50)38-45)55-36-41(34-35-57-55)48-27-12-11-26-47(48)40-18-5-2-6-19-40;/h2-36H,39H2,1H3;/q-2;+2/i1D3;.

What are the key properties of 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)?

2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 967.06 g/mol, XLogP of 13.04, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 167399237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).