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

C58H43N4OPt-3 — CID 168780235

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

9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 168780235) has the molecular formula C58H43N4OPt-3 and a molecular weight of 1007.09 g/mol. Its IUPAC name is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 168780235
• Molecular Formula: C58H43N4OPt-3
• Molecular Weight: 1007.09 g/mol
• Exact Mass: 1006.31
• IUPAC Name: 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C58H43N4O.Pt/c1-58(2,3)51-37-56(59-38-50(51)42-23-11-6-12-24-42)62-52-30-14-13-27-48(52)49-34-33-45(36-55(49)62)63-44-26-17-25-43(35-44)60-39-61(54-32-16-15-31-53(54)60)57-46(40-19-7-4-8-20-40)28-18-29-47(57)41-21-9-5-10-22-41;/h4-34,37-39H,1-3H3;/q-3
• InChIKey: RQYKPQXBNZLHEB-UHFFFAOYSA-N
• XLogP: 15.28
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1007.09
LogP ≤ 5	15.28
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-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 168780235) is 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-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-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccccc1.[Pt].

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

The InChIKey is RQYKPQXBNZLHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N4O.Pt/c1-58(2,3)51-37-56(59-38-50(51)42-23-11-6-12-24-42)62-52-30-14-13-27-48(52)49-34-33-45(36-55(49)62)63-44-26-17-25-43(35-44)60-39-61(54-32-16-15-31-53(54)60)57-46(40-19-7-4-8-20-40)28-18-29-47(57)41-21-9-5-10-22-41;/h4-34,37-39H,1-3H3;/q-3;.

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

9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1007.09 g/mol, XLogP of 15.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-5-phenyl-2-pyridinyl)-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).