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

C72H61N4O2Pt-3 — CID 164727274

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

9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 164727274) has the molecular formula C72H61N4O2Pt-3 and a molecular weight of 1209.38 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 164727274
• Molecular Formula: C72H61N4O2Pt-3
• Molecular Weight: 1209.38 g/mol
• Exact Mass: 1208.45
• IUPAC Name: 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cn4)ccc3)c3cc(-c4ccccc4)ccc32)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C72H61N4O2.Pt/c1-70(2,3)51-38-52(71(4,5)6)40-54(39-51)75-45-74(66-37-49(29-33-64(66)75)46-19-11-10-12-20-46)53-23-18-24-55(41-53)77-56-31-32-58-57-25-13-15-27-63(57)76(65(58)42-56)69-43-62(72(7,8)9)61(44-73-69)50-22-17-21-47(35-50)48-30-34-68-60(36-48)59-26-14-16-28-67(59)78-68;/h10-40,43-45H,1-9H3;/q-3
• InChIKey: NXZXXDMQHKZZFQ-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1209.38
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 164727274) is 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-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-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)c(-c5cccc(-c6ccc7oc8ccccc8c7c6)c5)cn4)ccc3)c3cc(-c4ccccc4)ccc32)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is NXZXXDMQHKZZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H61N4O2.Pt/c1-70(2,3)51-38-52(71(4,5)6)40-54(39-51)75-45-74(66-37-49(29-33-64(66)75)46-19-11-10-12-20-46)53-23-18-24-55(41-53)77-56-31-32-58-57-25-13-15-27-63(57)76(65(58)42-56)69-43-62(72(7,8)9)61(44-73-69)50-22-17-21-47(35-50)48-30-34-68-60(36-48)59-26-14-16-28-67(59)78-68;/h10-40,43-45H,1-9H3;/q-3;.

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

9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1209.38 g/mol, XLogP of 19.77, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-tert-butyl-5-(3-dibenzofuran-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).