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

C58H59N4OPt-3 — CID 163956663

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

2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 163956663) has the molecular formula C58H59N4OPt-3 and a molecular weight of 1023.21 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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 163956663
• Molecular Formula: C58H59N4OPt-3
• Molecular Weight: 1023.21 g/mol
• Exact Mass: 1022.44
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccc(C(C)(C)C)cc5C(C)(C)C)ccn4)ccc3)c3ccccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C58H59N4O.Pt/c1-55(2,3)39-24-26-46(49(34-39)58(10,11)12)38-28-29-59-54(30-38)62-50-21-14-13-20-47(50)48-27-25-45(36-53(48)62)63-44-19-17-18-42(35-44)60-37-61(52-23-16-15-22-51(52)60)43-32-40(56(4,5)6)31-41(33-43)57(7,8)9;/h13-34,37H,1-12H3;/q-3
• InChIKey: YEVJDIZTSHWMPN-UHFFFAOYSA-N
• XLogP: 15.83
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.21
LogP ≤ 5	15.83
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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 163956663) is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(-c5ccc(C(C)(C)C)cc5C(C)(C)C)ccn4)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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is YEVJDIZTSHWMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H59N4O.Pt/c1-55(2,3)39-24-26-46(49(34-39)58(10,11)12)38-28-29-59-54(30-38)62-50-21-14-13-20-47(50)48-27-25-45(36-53(48)62)63-44-19-17-18-42(35-44)60-37-61(52-23-16-15-22-51(52)60)43-32-40(56(4,5)6)31-41(33-43)57(7,8)9;/h13-34,37H,1-12H3;/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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1023.21 g/mol, XLogP of 15.83, 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-9-[4-(2,4-ditert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 163956663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).