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

C58H59N4OPt-3 — CID 168751414

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

2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 168751414) has the molecular formula C58H59N4OPt-3 and a molecular weight of 1026.23 g/mol. Its IUPAC name is 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 168751414
• Molecular Formula: C58H59N4OPt-3
• Molecular Weight: 1026.23 g/mol
• Exact Mass: 1025.45
• IUPAC Name: 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(-c2cccc(C(C)(C)C)c2)c1CCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C58H59N4O.Pt/c1-39-31-44(58(8,9)10)34-50(41-18-16-19-42(33-41)56(2,3)4)47(39)28-30-60-38-61(53-24-14-13-23-52(53)60)45-20-15-17-40(32-45)37-63-46-25-26-49-48-21-11-12-22-51(48)62(54(49)36-46)55-35-43(27-29-59-55)57(5,6)7;/h11-27,29,31,33-35,38H,28,30,37H2,1-10H3;/q-3;/i1D3
• InChIKey: ZHZABYRJUOHUMF-NIIDSAIPSA-N
• XLogP: 14.54
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1026.23
LogP ≤ 5	14.54
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-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 168751414) is 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(-c2cccc(C(C)(C)C)c2)c1CCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

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

The InChIKey is ZHZABYRJUOHUMF-NIIDSAIPSA-N. The full InChI is InChI=1S/C58H59N4O.Pt/c1-39-31-44(58(8,9)10)34-50(41-18-16-19-42(33-41)56(2,3)4)47(39)28-30-60-38-61(53-24-14-13-23-52(53)60)45-20-15-17-40(32-45)37-63-46-25-26-49-48-21-11-12-22-51(48)62(54(49)36-46)55-35-43(27-29-59-55)57(5,6)7;/h11-27,29,31,33-35,38H,28,30,37H2,1-10H3;/q-3;/i1D3;.

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

2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1026.23 g/mol, XLogP of 14.54, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[3-[2-[4-tert-butyl-2-(3-tert-butylphenyl)-6-(trideuteriomethyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168751414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).