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

C46H33N4O2Pt-3 — CID 165150188

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 165150188) 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-[3-(3-dibenzofuran-1-yl-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-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 165150188
• Molecular Formula: C46H33N4O2Pt-3
• Molecular Weight: 868.87 g/mol
• Exact Mass: 868.23
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc7oc8ccccc8c67)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C46H33N4O2.Pt/c1-46(2,3)30-24-25-47-44(26-30)50-37-16-6-4-14-34(37)35-23-22-33(28-41(35)50)51-32-13-10-12-31(27-32)48-29-49(39-18-8-7-17-38(39)48)40-19-11-21-43-45(40)36-15-5-9-20-42(36)52-43;/h4-26,29H,1-3H3;/q-3
• InChIKey: UKLSJSAPUPGEGR-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-[3-(3-dibenzofuran-1-yl-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-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 165150188) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-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-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-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-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cccc7oc8ccccc8c67)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

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

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

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-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-[3-(3-dibenzofuran-1-yl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 165150188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).