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

C67H43N5OPt-2 — CID 176797730

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

2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176797730) has the molecular formula C67H43N5OPt-2 and a molecular weight of 1142.27 g/mol. Its IUPAC name is 2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176797730
• Molecular Formula: C67H43N5OPt-2
• Molecular Weight: 1142.27 g/mol
• Exact Mass: 1141.39
• IUPAC Name: 2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4cccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c43)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(-c5ccccc5)cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C67H43N5O.Pt/c1-45-40-65(68-43-58(45)48-24-9-4-10-25-48)71-59-33-13-11-28-54(59)56-39-38-51(42-64(56)71)73-50-27-17-26-49(41-50)69-44-70(62-36-16-15-35-61(62)69)67-53(47-22-7-3-8-23-47)31-19-37-63(67)72-60-34-14-12-29-55(60)57-32-18-30-52(66(57)72)46-20-5-2-6-21-46;/h2-40,43H,1H3;/q-2;/i1D3,2D,3D,5D,6D,7D,8D,20D,21D,22D,23D
• InChIKey: ZJDAEFQUGZKENN-ZVIFNSHZSA-N
• XLogP: 16.00
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1142.27
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176797730) is 2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-n3c4ccccc4c4cccc(-c5c([2H])c([2H])c([2H])c([2H])c5[2H])c43)c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C([2H])([2H])[2H])c(-c5ccccc5)cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is ZJDAEFQUGZKENN-ZVIFNSHZSA-N. The full InChI is InChI=1S/C67H43N5O.Pt/c1-45-40-65(68-43-58(45)48-24-9-4-10-25-48)71-59-33-13-11-28-54(59)56-39-38-51(42-64(56)71)73-50-27-17-26-49(41-50)69-44-70(62-36-16-15-35-61(62)69)67-53(47-22-7-3-8-23-47)31-19-37-63(67)72-60-34-14-12-29-55(60)57-32-18-30-52(66(57)72)46-20-5-2-6-21-46;/h2-40,43H,1H3;/q-2;/i1D3,2D,3D,5D,6D,7D,8D,20D,21D,22D,23D;.

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

2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1142.27 g/mol, XLogP of 16.00, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-[1-(2,3,4,5,6-pentadeuteriophenyl)carbazol-9-yl]phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176797730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).