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

C80H67N4OPt-3 — CID 176784219

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

9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176784219) has the molecular formula C80H67N4OPt-3 and a molecular weight of 1297.53 g/mol. Its IUPAC name is 9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176784219
• Molecular Formula: C80H67N4OPt-3
• Molecular Weight: 1297.53 g/mol
• Exact Mass: 1296.51
• IUPAC Name: 9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: [2H]C1([2H])c2ccccc2C2(c3ccccc3-c3c(-c4cccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4N4[CH-]N(c5[c-]c(Oc6[c-]c7c(cc6)c6ccccc6n7-c6ccc(C(C)(C)C)cn6)ccc5)c5ccccc54)cccc32)c2ccccc21.[Pt]
• InChI: InChI=1S/C80H67N4O.Pt/c1-77(2,3)54-39-42-74(81-49-54)84-70-36-17-13-27-61(70)62-41-40-59(48-73(62)84)85-58-26-20-25-57(47-58)82-50-83(72-38-19-18-37-71(72)82)76-60(53-44-55(78(4,5)6)46-56(45-53)79(7,8)9)29-21-31-64(76)63-30-22-35-69-75(63)65-28-12-16-34-68(65)80(69)66-32-14-10-23-51(66)43-52-24-11-15-33-67(52)80;/h10-42,44-46,49-50H,43H2,1-9H3;/q-3;/i43D2
• InChIKey: ZLSIWRJKOUWZJK-CJWRXDKFSA-N
• XLogP: 20.47
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.53
LogP ≤ 5	20.47
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-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176784219) is 9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)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-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is [2H]C1([2H])c2ccccc2C2(c3ccccc3-c3c(-c4cccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4N4[CH-]N(c5[c-]c(Oc6[c-]c7c(cc6)c6ccccc6n7-c6ccc(C(C)(C)C)cn6)ccc5)c5ccccc54)cccc32)c2ccccc21.[Pt].

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

The InChIKey is ZLSIWRJKOUWZJK-CJWRXDKFSA-N. The full InChI is InChI=1S/C80H67N4O.Pt/c1-77(2,3)54-39-42-74(81-49-54)84-70-36-17-13-27-61(70)62-41-40-59(48-73(62)84)85-58-26-20-25-57(47-58)82-50-83(72-38-19-18-37-71(72)82)76-60(53-44-55(78(4,5)6)46-56(45-53)79(7,8)9)29-21-31-64(76)63-30-22-35-69-75(63)65-28-12-16-34-68(65)80(69)66-32-14-10-23-51(66)43-52-24-11-15-33-67(52)80;/h10-42,44-46,49-50H,43H2,1-9H3;/q-3;/i43D2;.

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

9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1297.53 g/mol, XLogP of 20.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(5-tert-butyl-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176784219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).