[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum

C52H40N4OPtSi-2 — CID 171057272

About [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum

[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum (PubChem CID 171057272) has the molecular formula C52H40N4OPtSi-2 and a molecular weight of 960.08 g/mol. Its IUPAC name is [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum.

Molecular Properties

• Compound Name: [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum
• PubChem CID: 171057272
• Molecular Formula: C52H40N4OPtSi-2
• Molecular Weight: 960.08 g/mol
• Exact Mass: 959.26
• IUPAC Name: [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+]([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C52H40N4OSi.Pt/c1-52(2,3)38-32-33-53-51(34-38)56-47-27-14-13-26-45(47)46-31-30-41(36-50(46)56)57-40-19-17-18-39(35-40)54-37-55(49-29-16-15-28-48(49)54)58(42-20-7-4-8-21-42,43-22-9-5-10-23-43)44-24-11-6-12-25-44;/h4-34H,1-3H3;/q-2
• InChIKey: ZRBKZWVPMUYPQN-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	960.08
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum?

The IUPAC name of [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum (CID 171057272) is [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum.

What is the SMILES notation for [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum?

The canonical SMILES for [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+]([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum?

The InChIKey is ZRBKZWVPMUYPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H40N4OSi.Pt/c1-52(2,3)38-32-33-53-51(34-38)56-47-27-14-13-26-45(47)46-31-30-41(36-50(46)56)57-40-19-17-18-39(35-40)54-37-55(49-29-16-15-28-48(49)54)58(42-20-7-4-8-21-42,43-22-9-5-10-23-43)44-24-11-6-12-25-44;/h4-34H,1-3H3;/q-2;.

What are the key properties of [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum?

[3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum has a molecular weight of 960.08 g/mol, XLogP of 9.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[3-[[9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-2H-benzimidazol-1-ium-2-id-1-yl]-triphenylsilane;platinum is sourced from PubChem (CID 171057272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).