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

C61H57N4OPt-3 — CID 170780540

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum (PubChem CID 170780540) has the molecular formula C61H57N4OPt-3 and a molecular weight of 1068.30 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 170780540
• Molecular Formula: C61H57N4OPt-3
• Molecular Weight: 1068.30 g/mol
• Exact Mass: 1067.49
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c(C(C)(C)C)c([2H])c(C(C)(C)C)c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C([2H])([2H])[2H])ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C61H57N4O.Pt/c1-40-26-29-53-52(32-40)51-28-27-48(38-56(51)65(53)57-36-43(30-31-62-57)59(2,3)4)66-47-21-16-20-46(37-47)63-39-64(55-25-15-14-24-54(55)63)58-49(41-18-12-11-13-19-41)22-17-23-50(58)42-33-44(60(5,6)7)35-45(34-42)61(8,9)10;/h11-36,39H,1-10H3;/q-3;/i1D3,11D,12D,13D,18D,19D,33D,34D,35D
• InChIKey: WESPRFCPOGDDHO-XJQMBTQWSA-N
• XLogP: 16.51
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1068.30
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum (CID 170780540) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c(C(C)(C)C)c([2H])c(C(C)(C)C)c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C([2H])([2H])[2H])ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is WESPRFCPOGDDHO-XJQMBTQWSA-N. The full InChI is InChI=1S/C61H57N4O.Pt/c1-40-26-29-53-52(32-40)51-28-27-48(38-56(51)65(53)57-36-43(30-31-62-57)59(2,3)4)66-47-21-16-20-46(37-47)63-39-64(55-25-15-14-24-54(55)63)58-49(41-18-12-11-13-19-41)22-17-23-50(58)42-33-44(60(5,6)7)35-45(34-42)61(8,9)10;/h11-36,39H,1-10H3;/q-3;/i1D3,11D,12D,13D,18D,19D,33D,34D,35D;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1068.30 g/mol, XLogP of 16.51, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butyl-2,4,6-trideuteriophenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(trideuteriomethyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 170780540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).