2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C84H67N4OPt-3 — CID 176784115

About 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176784115) has the molecular formula C84H67N4OPt-3 and a molecular weight of 1351.61 g/mol. Its IUPAC name is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176784115
• Molecular Formula: C84H67N4OPt-3
• Molecular Weight: 1351.61 g/mol
• Exact Mass: 1350.55
• IUPAC Name: 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C([2H])([2H])c4ccccc43)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccc(-c5ccc(C(C)(C)C)cc5)cn4)ccc3)c3ccccc32)cc(C([2H])([2H])[2H])c1.[Pt]
• InChI: InChI=1S/C84H67N4O.Pt/c1-53-42-54(2)44-60(43-53)70-48-62(83(6,7)8)47-69(56-34-40-75-71(46-56)66-24-11-15-28-74(66)84(75)72-26-13-9-20-57(72)45-58-21-10-14-27-73(58)84)81(70)87-52-86(77-30-17-18-31-78(77)87)63-22-19-23-64(49-63)89-65-38-39-68-67-25-12-16-29-76(67)88(79(68)50-65)80-41-35-59(51-85-80)55-32-36-61(37-33-55)82(3,4)5;/h9-44,46-48,51-52H,45H2,1-8H3;/q-3;/i1D3,2D3,45D2
• InChIKey: ICWBXAHSYXFQOX-HPORLEQNSA-N
• XLogP: 21.46
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1351.61
LogP ≤ 5	21.46
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-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176784115) is 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-c2cc(C(C)(C)C)cc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4C([2H])([2H])c4ccccc43)c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4ccc(-c5ccc(C(C)(C)C)cc5)cn4)ccc3)c3ccccc32)cc(C([2H])([2H])[2H])c1.[Pt].

What is the InChIKey of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is ICWBXAHSYXFQOX-HPORLEQNSA-N. The full InChI is InChI=1S/C84H67N4O.Pt/c1-53-42-54(2)44-60(43-53)70-48-62(83(6,7)8)47-69(56-34-40-75-71(46-56)66-24-11-15-28-74(66)84(75)72-26-13-9-20-57(72)45-58-21-10-14-27-73(58)84)81(70)87-52-86(77-30-17-18-31-78(77)87)63-22-19-23-64(49-63)89-65-38-39-68-67-25-12-16-29-76(67)88(79(68)50-65)80-41-35-59(51-85-80)55-32-36-61(37-33-55)82(3,4)5;/h9-44,46-48,51-52H,45H2,1-8H3;/q-3;/i1D3,2D3,45D2;.

What are the key properties of 2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1351.61 g/mol, XLogP of 21.46, 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-[3,5-bis(trideuteriomethyl)phenyl]-4-tert-butyl-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176784115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).