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

C86H71N4OPt-3 — CID 176784186

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

9-[5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 176784186) has the molecular formula C86H71N4OPt-3 and a molecular weight of 1373.63 g/mol. Its IUPAC name is 9-[5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 176784186
• Molecular Formula: C86H71N4OPt-3
• Molecular Weight: 1373.63 g/mol
• Exact Mass: 1372.54
• IUPAC Name: 9-[5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-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-c3cc(-c4cccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4N4[CH-]N(c5[c-]c(Oc6[c-]c7c(cc6)c6ccccc6n7-c6ccc(-c7ccc(C(C)(C)C)cc7)cn6)ccc5)c5ccccc54)ccc32)c2ccccc21.[Pt]
• InChI: InChI=1S/C86H71N4O.Pt/c1-83(2,3)61-40-36-55(37-41-61)59-39-45-81(87-53-59)90-77-33-17-13-27-70(77)71-43-42-66(52-80(71)90)91-65-25-20-24-64(51-65)88-54-89(79-35-19-18-34-78(79)88)82-67(28-21-29-68(82)60-47-62(84(4,5)6)50-63(48-60)85(7,8)9)56-38-44-76-72(49-56)69-26-12-16-32-75(69)86(76)73-30-14-10-22-57(73)46-58-23-11-15-31-74(58)86;/h10-45,47-50,53-54H,46H2,1-9H3;/q-3;/i46D2
• InChIKey: KHAOADYUEWGOBE-OYCNSTCRSA-N
• XLogP: 22.14
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1373.63
LogP ≤ 5	22.14
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)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 176784186) is 9-[5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-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-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-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-c3cc(-c4cccc(-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4N4[CH-]N(c5[c-]c(Oc6[c-]c7c(cc6)c6ccccc6n7-c6ccc(-c7ccc(C(C)(C)C)cc7)cn6)ccc5)c5ccccc54)ccc32)c2ccccc21.[Pt].

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

The InChIKey is KHAOADYUEWGOBE-OYCNSTCRSA-N. The full InChI is InChI=1S/C86H71N4O.Pt/c1-83(2,3)61-40-36-55(37-41-61)59-39-45-81(87-53-59)90-77-33-17-13-27-70(77)71-43-42-66(52-80(71)90)91-65-25-20-24-64(51-65)88-54-89(79-35-19-18-34-78(79)88)82-67(28-21-29-68(82)60-47-62(84(4,5)6)50-63(48-60)85(7,8)9)56-38-44-76-72(49-56)69-26-12-16-32-75(69)86(76)73-30-14-10-22-57(73)46-58-23-11-15-31-74(58)86;/h10-45,47-50,53-54H,46H2,1-9H3;/q-3;/i46D2;.

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

9-[5-(4-tert-butylphenyl)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1373.63 g/mol, XLogP of 22.14, 8 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)-2-pyridinyl]-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(9,9-dideuteriospiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176784186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).