[1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum

C49H40N4O2PtSi-2 — CID 166497076

About [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum

[1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum (PubChem CID 166497076) has the molecular formula C49H40N4O2PtSi-2 and a molecular weight of 940.05 g/mol. Its IUPAC name is [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum.

Molecular Properties

• Compound Name: [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum
• PubChem CID: 166497076
• Molecular Formula: C49H40N4O2PtSi-2
• Molecular Weight: 940.05 g/mol
• Exact Mass: 939.26
• IUPAC Name: [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c([Si](C)(C)C)ccc7oc8ccccc8c67)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C49H40N4O2Si.Pt/c1-49(2,3)32-26-27-50-46(28-32)53-39-18-9-7-16-36(39)37-23-22-35(30-42(37)53)54-34-15-13-14-33(29-34)51-31-52(41-20-11-10-19-40(41)51)48-45(56(4,5)6)25-24-44-47(48)38-17-8-12-21-43(38)55-44;/h7-28H,1-6H3;/q-2
• InChIKey: VTMSKSDSYDLYBJ-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 49.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.05
LogP ≤ 5	11.33
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': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum?

The IUPAC name of [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum (CID 166497076) is [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum.

What is the SMILES notation for [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum?

The canonical SMILES for [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c([Si](C)(C)C)ccc7oc8ccccc8c67)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum?

The InChIKey is VTMSKSDSYDLYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N4O2Si.Pt/c1-49(2,3)32-26-27-50-46(28-32)53-39-18-9-7-16-36(39)37-23-22-35(30-42(37)53)54-34-15-13-14-33(29-34)51-31-52(41-20-11-10-19-40(41)51)48-45(56(4,5)6)25-24-44-47(48)38-17-8-12-21-43(38)55-44;/h7-28H,1-6H3;/q-2;.

What are the key properties of [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum?

[1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum has a molecular weight of 940.05 g/mol, XLogP of 11.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[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]dibenzofuran-2-yl]-trimethylsilane;platinum is sourced from PubChem (CID 166497076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).