9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

C73H65N4OPt-3 — CID 177082710

About 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum

9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 177082710) has the molecular formula C73H65N4OPt-3 and a molecular weight of 1212.45 g/mol. Its IUPAC name is 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 177082710
• Molecular Formula: C73H65N4OPt-3
• Molecular Weight: 1212.45 g/mol
• Exact Mass: 1211.50
• IUPAC Name: 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(-c8ccccc8)cc7)cccc6-c6ccc(C(C)(C)C)cc6C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C73H65N4O.Pt/c1-48-42-69(74-46-63(48)52-34-36-53(37-35-52)71(2,3)4)77-65-27-15-14-24-60(65)61-41-39-57(45-68(61)77)78-56-23-18-22-55(44-56)75-47-76(67-29-17-16-28-66(67)75)70-58(51-32-30-50(31-33-51)49-20-12-11-13-21-49)25-19-26-62(70)59-40-38-54(72(5,6)7)43-64(59)73(8,9)10;/h11-43,46-47H,1-10H3;/q-3;/i1D3
• InChIKey: ODQXYMIBARUZHP-NIIDSAIPSA-N
• XLogP: 19.85
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1212.45
LogP ≤ 5	19.85
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-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 177082710) is 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7ccc(-c8ccccc8)cc7)cccc6-c6ccc(C(C)(C)C)cc6C(C)(C)C)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt].

What is the InChIKey of 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The InChIKey is ODQXYMIBARUZHP-NIIDSAIPSA-N. The full InChI is InChI=1S/C73H65N4O.Pt/c1-48-42-69(74-46-63(48)52-34-36-53(37-35-52)71(2,3)4)77-65-27-15-14-24-60(65)61-41-39-57(45-68(61)77)78-56-23-18-22-55(44-56)75-47-76(67-29-17-16-28-66(67)75)70-58(51-32-30-50(31-33-51)49-20-12-11-13-21-49)25-19-26-62(70)59-40-38-54(72(5,6)7)43-64(59)73(8,9)10;/h11-43,46-47H,1-10H3;/q-3;/i1D3;.

What are the key properties of 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1212.45 g/mol, XLogP of 19.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-2-[3-[3-[2-(2,4-ditert-butylphenyl)-6-(4-phenylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 177082710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).