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

C56H39N4OPt-3 — CID 171721553

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171721553) has the molecular formula C56H39N4OPt-3 and a molecular weight of 995.13 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171721553
• Molecular Formula: C56H39N4OPt-3
• Molecular Weight: 995.13 g/mol
• Exact Mass: 994.38
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ncc(C([2H])([2H])[2H])c(-c5ccccc5)c4C([2H])([2H])[2H])ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C56H39N4O.Pt/c1-38-36-57-56(39(2)54(38)42-22-10-5-11-23-42)60-50-29-13-12-26-48(50)49-33-32-45(35-53(49)60)61-44-25-16-24-43(34-44)58-37-59(52-31-15-14-30-51(52)58)55-46(40-18-6-3-7-19-40)27-17-28-47(55)41-20-8-4-9-21-41;/h3-33,36-37H,1-2H3;/q-3;/i1D3,2D3,3D,4D,6D,7D,8D,9D,18D,19D,20D,21D
• InChIKey: OFADOCWKKAILHZ-BRCZCXGLSA-N
• XLogP: 14.60
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.13
LogP ≤ 5	14.60
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 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171721553) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ncc(C([2H])([2H])[2H])c(-c5ccccc5)c4C([2H])([2H])[2H])ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is OFADOCWKKAILHZ-BRCZCXGLSA-N. The full InChI is InChI=1S/C56H39N4O.Pt/c1-38-36-57-56(39(2)54(38)42-22-10-5-11-23-42)60-50-29-13-12-26-48(50)49-33-32-45(35-53(49)60)61-44-25-16-24-43(34-44)58-37-59(52-31-15-14-30-51(52)58)55-46(40-18-6-3-7-19-40)27-17-28-47(55)41-20-8-4-9-21-41;/h3-33,36-37H,1-2H3;/q-3;/i1D3,2D3,3D,4D,6D,7D,8D,9D,18D,19D,20D,21D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 995.13 g/mol, XLogP of 14.60, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-phenyl-3,5-bis(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171721553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).