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

C59H53N4OPt-3 — CID 168751572

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

9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 168751572) has the molecular formula C59H53N4OPt-3 and a molecular weight of 1032.20 g/mol. Its IUPAC name is 9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 168751572
• Molecular Formula: C59H53N4OPt-3
• Molecular Weight: 1032.20 g/mol
• Exact Mass: 1031.41
• IUPAC Name: 9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cccc(-c2cccc(C(C)(C)C)c2)c1CCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccc(C(C)(C)C)cc4)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C59H53N4O.Pt/c1-40-15-12-21-50(43-16-13-17-45(35-43)59(5,6)7)49(40)32-34-61-39-62(55-24-11-10-23-54(55)61)46-18-14-19-47(37-46)64-48-29-30-52-51-20-8-9-22-53(51)63(56(52)38-48)57-36-42(31-33-60-57)41-25-27-44(28-26-41)58(2,3)4;/h8-31,33,35-36,39H,32,34H2,1-7H3;/q-3;/i1D3
• InChIKey: RPOFQSQXCHQCGL-NIIDSAIPSA-N
• XLogP: 15.13
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1032.20
LogP ≤ 5	15.13
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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 168751572) is 9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cccc(-c2cccc(C(C)(C)C)c2)c1CCN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccc(C(C)(C)C)cc4)ccn3)ccc2)c2ccccc21.[Pt].

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

The InChIKey is RPOFQSQXCHQCGL-NIIDSAIPSA-N. The full InChI is InChI=1S/C59H53N4O.Pt/c1-40-15-12-21-50(43-16-13-17-45(35-43)59(5,6)7)49(40)32-34-61-39-62(55-24-11-10-23-54(55)61)46-18-14-19-47(37-46)64-48-29-30-52-51-20-8-9-22-53(51)63(56(52)38-48)57-36-42(31-33-60-57)41-25-27-44(28-26-41)58(2,3)4;/h8-31,33,35-36,39H,32,34H2,1-7H3;/q-3;/i1D3;.

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

9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1032.20 g/mol, XLogP of 15.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-[2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168751572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).