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

C67H69N4OPt-3 — CID 168751483

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

2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 168751483) has the molecular formula C67H69N4OPt-3 and a molecular weight of 1141.39 g/mol. Its IUPAC name is 2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 168751483
• Molecular Formula: C67H69N4OPt-3
• Molecular Weight: 1141.39 g/mol
• Exact Mass: 1140.51
• IUPAC Name: 2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)Cc1cc(C(C)(C)C)cc(-c2ccc(C(C)(C)C)cc2)c1CCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3-c3ccccc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C67H69N4O.Pt/c1-45(2)36-49-38-52(67(9,10)11)39-56(48-28-30-50(31-29-48)65(3,4)5)54(49)33-35-69-44-70(61-27-18-17-26-60(61)69)53-23-19-20-46(37-53)43-72-63-42-62-58(41-57(63)47-21-13-12-14-22-47)55-24-15-16-25-59(55)71(62)64-40-51(32-34-68-64)66(6,7)8;/h12-32,34,38-41,44-45H,33,35-36,43H2,1-11H3;/q-3
• InChIKey: FKLXVERGGWAZCW-UHFFFAOYSA-N
• XLogP: 17.10
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1141.39
LogP ≤ 5	17.10
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-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum (CID 168751483) is 2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum is CC(C)Cc1cc(C(C)(C)C)cc(-c2ccc(C(C)(C)C)cc2)c1CCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3-c3ccccc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

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

The InChIKey is FKLXVERGGWAZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H69N4O.Pt/c1-45(2)36-49-38-52(67(9,10)11)39-56(48-28-30-50(31-29-48)65(3,4)5)54(49)33-35-69-44-70(61-27-18-17-26-60(61)69)53-23-19-20-46(37-53)43-72-63-42-62-58(41-57(63)47-21-13-12-14-22-47)55-24-15-16-25-59(55)71(62)64-40-51(32-34-68-64)66(6,7)8;/h12-32,34,38-41,44-45H,33,35-36,43H2,1-11H3;/q-3;.

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

2-[[3-[3-[2-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1141.39 g/mol, XLogP of 17.10, 12 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-(4-tert-butylphenyl)-6-(2-methylpropyl)phenyl]ethyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-9-(4-tert-butyl-2-pyridinyl)-3-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168751483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).