9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

C61H57N4OPt-3 — CID 164726843

About 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum

9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 164726843) has the molecular formula C61H57N4OPt-3 and a molecular weight of 1057.23 g/mol. Its IUPAC name is 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 164726843
• Molecular Formula: C61H57N4OPt-3
• Molecular Weight: 1057.23 g/mol
• Exact Mass: 1056.42
• IUPAC Name: 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C61H57N4O.Pt/c1-40-31-58(62-38-53(40)42-23-26-44(27-24-42)59(2,3)4)65-54-30-25-43(41-17-12-11-13-18-41)32-52(54)51-29-28-50(37-57(51)65)66-49-20-16-19-47(36-49)63-39-64(56-22-15-14-21-55(56)63)48-34-45(60(5,6)7)33-46(35-48)61(8,9)10;/h11-35,38-39H,1-10H3;/q-3
• InChIKey: AWFNMASQEDWJRK-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1057.23
LogP ≤ 5	16.51
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 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (CID 164726843) is 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt].

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

The InChIKey is AWFNMASQEDWJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H57N4O.Pt/c1-40-31-58(62-38-53(40)42-23-26-44(27-24-42)59(2,3)4)65-54-30-25-43(41-17-12-11-13-18-41)32-52(54)51-29-28-50(37-57(51)65)66-49-20-16-19-47(36-49)63-39-64(56-22-15-14-21-55(56)63)48-34-45(60(5,6)7)33-46(35-48)61(8,9)10;/h11-35,38-39H,1-10H3;/q-3;.

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

9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1057.23 g/mol, XLogP of 16.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-tert-butylphenyl)-4-methyl-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164726843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).