9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C47H35N5OPt-2 — CID 162446548

About 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 162446548) has the molecular formula C47H35N5OPt-2 and a molecular weight of 880.91 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 162446548
• Molecular Formula: C47H35N5OPt-2
• Molecular Weight: 880.91 g/mol
• Exact Mass: 880.25
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C47H35N5O.Pt/c1-47(2,3)31-24-25-48-46(26-31)52-42-23-20-33(51-40-16-7-5-14-36(40)37-15-6-8-17-41(37)51)28-39(42)38-22-21-35(29-45(38)52)53-34-13-11-12-32(27-34)50-30-49(4)43-18-9-10-19-44(43)50;/h5-26,28H,1-4H3;/q-2
• InChIKey: SLSSDWLJROYBDL-UHFFFAOYSA-N
• XLogP: 10.53
• TPSA: 40.79 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	880.91
LogP ≤ 5	10.53
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 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 162446548) is 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-n5c6ccccc6c6ccccc65)ccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is SLSSDWLJROYBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N5O.Pt/c1-47(2,3)31-24-25-48-46(26-31)52-42-23-20-33(51-40-16-7-5-14-36(40)37-15-6-8-17-41(37)51)28-39(42)38-22-21-35(29-45(38)52)53-34-13-11-12-32(27-34)50-30-49(4)43-18-9-10-19-44(43)50;/h5-26,28H,1-4H3;/q-2;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 880.91 g/mol, XLogP of 10.53, 5 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)-6-carbazol-9-yl-2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162446548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).