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

C77H61N4OPt-3 — CID 176784204

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

2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 176784204) has the molecular formula C77H61N4OPt-3 and a molecular weight of 1256.46 g/mol. Its IUPAC name is 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 176784204
• Molecular Formula: C77H61N4OPt-3
• Molecular Weight: 1256.46 g/mol
• Exact Mass: 1255.47
• IUPAC Name: 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6cccc7c6-c6ccccc6C76c7ccccc7Cc7ccccc76)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C77H61N4O.Pt/c1-49-39-40-78-72(41-49)81-68-34-15-11-25-59(68)60-38-37-57(47-71(60)81)82-56-24-18-23-55(46-56)79-48-80(70-36-17-16-35-69(70)79)74-58(52-43-53(75(2,3)4)45-54(44-52)76(5,6)7)27-19-29-62(74)61-28-20-33-67-73(61)63-26-10-14-32-66(63)77(67)64-30-12-8-21-50(64)42-51-22-9-13-31-65(51)77;/h8-41,43-45,48H,42H2,1-7H3;/q-3;/i1D3
• InChIKey: RDPDSWYEDAFSSR-NIIDSAIPSA-N
• XLogP: 19.48
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1256.46
LogP ≤ 5	19.48
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-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 176784204) is 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6cccc7c6-c6ccccc6C76c7ccccc7Cc7ccccc76)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is RDPDSWYEDAFSSR-NIIDSAIPSA-N. The full InChI is InChI=1S/C77H61N4O.Pt/c1-49-39-40-78-72(41-49)81-68-34-15-11-25-59(68)60-38-37-57(47-71(60)81)82-56-24-18-23-55(46-56)79-48-80(70-36-17-16-35-69(70)79)74-58(52-43-53(75(2,3)4)45-54(44-52)76(5,6)7)27-19-29-62(74)61-28-20-33-67-73(61)63-26-10-14-32-66(63)77(67)64-30-12-8-21-50(64)42-51-22-9-13-31-65(51)77;/h8-41,43-45,48H,42H2,1-7H3;/q-3;/i1D3;.

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

2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1256.46 g/mol, XLogP of 19.48, 8 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-ditert-butylphenyl)-6-spiro[9H-anthracene-10,9'-fluorene]-4'-ylphenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 176784204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).