2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

C124H116N8O3Pt2-6 — CID 163993625

About 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 163993625) has the molecular formula C124H116N8O3Pt2-6 and a molecular weight of 2162.54 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 163993625
• Molecular Formula: C124H116N8O3Pt2-6
• Molecular Weight: 2162.54 g/mol
• Exact Mass: 2160.89
• IUPAC Name: 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)cc5c4oc4ccccc45)ccc3c3ccccc32)c1.[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc(C(C)(C)C)c6)c6cc(C(C)(C)C)ccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt].[Pt]
• InChI: InChI=1S/C62H57N4O2.C62H59N4O.2Pt/c1-38-28-41(60(3,4)5)29-39(2)58(38)40-26-27-63-57(30-40)66-51-20-14-12-18-47(51)48-25-24-46(36-54(48)66)67-56-35-45(34-50-49-19-13-17-23-55(49)68-59(50)56)65-37-64(52-21-15-16-22-53(52)65)44-32-42(61(6,7)8)31-43(33-44)62(9,10)11;1-40-31-47(62(9,10)11)32-41(2)59(40)44-29-30-63-58(34-44)66-54-27-23-43(42-17-13-12-14-18-42)33-53(54)52-26-25-51(38-56(52)66)67-50-22-16-21-49(37-50)64-39-65(48-20-15-19-45(35-48)60(3,4)5)57-36-46(61(6,7)8)24-28-55(57)64;;/h12-34,37H,1-11H3;12-36,39H,1-11H3;;/q2*-3;;/i2*1D3
• InChIKey: TXQFQHIBJXVFRS-NAXAOJHISA-N
• XLogP: 33.88
• TPSA: 80.20 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2162.54
LogP ≤ 5	33.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (CID 163993625) is 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)cc5c4oc4ccccc45)ccc3c3ccccc32)c1.[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc(C(C)(C)C)c6)c6cc(C(C)(C)C)ccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt].[Pt].

What is the InChIKey of 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

The InChIKey is TXQFQHIBJXVFRS-NAXAOJHISA-N. The full InChI is InChI=1S/C62H57N4O2.C62H59N4O.2Pt/c1-38-28-41(60(3,4)5)29-39(2)58(38)40-26-27-63-57(30-40)66-51-20-14-12-18-47(51)48-25-24-46(36-54(48)66)67-56-35-45(34-50-49-19-13-17-23-55(49)68-59(50)56)65-37-64(52-21-15-16-22-53(52)65)44-32-42(61(6,7)8)31-43(33-44)62(9,10)11;1-40-31-47(62(9,10)11)32-41(2)59(40)44-29-30-63-58(34-44)66-54-27-23-43(42-17-13-12-14-18-42)33-53(54)52-26-25-51(38-56(52)66)67-50-22-16-21-49(37-50)64-39-65(48-20-15-19-45(35-48)60(3,4)5)57-36-46(61(6,7)8)24-28-55(57)64;;/h12-34,37H,1-11H3;12-36,39H,1-11H3;;/q2*-3;;/i2*1D3;;.

What are the key properties of 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum?

2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 2162.54 g/mol, XLogP of 33.88, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-6-phenyl-1H-carbazol-1-ide;9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[[2-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 163993625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).