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

C50H43N4OPt-3 — CID 168830498

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

2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 168830498) has the molecular formula C50H43N4OPt-3 and a molecular weight of 911.00 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 168830498
• Molecular Formula: C50H43N4OPt-3
• Molecular Weight: 911.00 g/mol
• Exact Mass: 910.31
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4ccccn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C50H43N4O.Pt/c1-49(2,3)36-28-37(50(4,5)6)30-39(29-36)53-33-52(45-19-10-11-20-46(45)53)38-17-14-18-40(31-38)55-41-23-24-42-43-27-35(34-15-8-7-9-16-34)22-25-44(43)54(47(42)32-41)48-21-12-13-26-51-48;/h7-30,33H,1-6H3;/q-3
• InChIKey: QJJONNPJVVISAB-UHFFFAOYSA-N
• XLogP: 13.24
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	911.00
LogP ≤ 5	13.24
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 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 168830498) is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4ccccn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is QJJONNPJVVISAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43N4O.Pt/c1-49(2,3)36-28-37(50(4,5)6)30-39(29-36)53-33-52(45-19-10-11-20-46(45)53)38-17-14-18-40(31-38)55-41-23-24-42-43-27-35(34-15-8-7-9-16-34)22-25-44(43)54(47(42)32-41)48-21-12-13-26-51-48;/h7-30,33H,1-6H3;/q-3;.

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

2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 911.00 g/mol, XLogP of 13.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-phenyl-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168830498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).