9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum

C46H33N4O2Pt-3 — CID 162445678

About 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (PubChem CID 162445678) has the molecular formula C46H33N4O2Pt-3 and a molecular weight of 868.87 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 162445678
• Molecular Formula: C46H33N4O2Pt-3
• Molecular Weight: 868.87 g/mol
• Exact Mass: 868.23
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccccc6)c6ccccc65)c5c(c4)oc4ccccc45)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C46H33N4O2.Pt/c1-46(2,3)30-23-24-47-44(25-30)50-37-17-9-7-15-34(37)35-22-21-32(26-40(35)50)51-33-27-41(45-36-16-8-12-20-42(36)52-43(45)28-33)49-29-48(31-13-5-4-6-14-31)38-18-10-11-19-39(38)49;/h4-25,28-29H,1-3H3;/q-3
• InChIKey: HEDPZGPOQPJABE-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.87
LogP ≤ 5	12.17
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-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum (CID 162445678) is 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccccc6)c6ccccc65)c5c(c4)oc4ccccc45)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is HEDPZGPOQPJABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H33N4O2.Pt/c1-46(2,3)30-23-24-47-44(25-30)50-37-17-9-7-15-34(37)35-22-21-32(26-40(35)50)51-33-27-41(45-36-16-8-12-20-42(36)52-43(45)28-33)49-29-48(31-13-5-4-6-14-31)38-18-10-11-19-39(38)49;/h4-25,28-29H,1-3H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum has a molecular weight of 868.87 g/mol, XLogP of 12.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[1-(3-phenyl-2H-benzimidazol-2-id-1-yl)-2H-dibenzofuran-2-id-3-yl]oxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162445678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).