9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum

C58H41N4O2Pt-3 — CID 164788651

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

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 164788651) has the molecular formula C58H41N4O2Pt-3 and a molecular weight of 1030.12 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 164788651
• Molecular Formula: C58H41N4O2Pt-3
• Molecular Weight: 1030.12 g/mol
• Exact Mass: 1029.35
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1cc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4oc5ccccc5c4c3)c3ccccc32)c([2H])c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C58H41N4O2.Pt/c1-58(2,3)40-31-32-59-55(33-40)62-49-25-12-10-21-45(49)46-30-29-42(36-52(46)62)63-54-35-41(34-48-47-22-11-15-28-53(47)64-57(48)54)60-37-61(51-27-14-13-26-50(51)60)56-43(38-17-6-4-7-18-38)23-16-24-44(56)39-19-8-5-9-20-39;/h4-34,37H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,17D,18D,19D
• InChIKey: DNLFTFOYGOLFFP-YYAQOUFSSA-N
• XLogP: 15.51
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.12
LogP ≤ 5	15.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum (CID 164788651) is 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is [2H]c1cc(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)c4oc5ccccc5c4c3)c3ccccc32)c([2H])c([2H])c1[2H].[Pt].

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

The InChIKey is DNLFTFOYGOLFFP-YYAQOUFSSA-N. The full InChI is InChI=1S/C58H41N4O2.Pt/c1-58(2,3)40-31-32-59-55(33-40)62-49-25-12-10-21-45(49)46-30-29-42(36-52(46)62)63-54-35-41(34-48-47-22-11-15-28-53(47)64-57(48)54)60-37-61(51-27-14-13-26-50(51)60)56-43(38-17-6-4-7-18-38)23-16-24-44(56)39-19-8-5-9-20-39;/h4-34,37H,1-3H3;/q-3;/i4D,5D,6D,7D,8D,9D,17D,18D,19D;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 1030.12 g/mol, XLogP of 15.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[2-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,5-tetradeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164788651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).