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

C51H53N4OPt-3 — CID 168748245

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum (PubChem CID 168748245) has the molecular formula C51H53N4OPt-3 and a molecular weight of 933.09 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum
• PubChem CID: 168748245
• Molecular Formula: C51H53N4OPt-3
• Molecular Weight: 933.09 g/mol
• Exact Mass: 932.39
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum
• SMILES: CC(C)(C)c1cc(N2C=C(c3ccccc3)N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)C2)cc(C(C)(C)C)c1.[CH3-].[Pt]
• InChI: InChI=1S/C50H50N4O.CH3.Pt/c1-48(2,3)35-24-25-51-47(29-35)54-44-21-14-13-20-42(44)43-23-22-41(31-45(43)54)55-40-19-15-18-38(30-40)53-33-52(32-46(53)34-16-11-10-12-17-34)39-27-36(49(4,5)6)26-37(28-39)50(7,8)9;;/h10-29,32H,33H2,1-9H3;1H3;/q-2;-1
• InChIKey: WNYZLPAXLQHAML-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.09
LogP ≤ 5	13.19
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-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum (CID 168748245) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum is CC(C)(C)c1cc(N2C=C(c3ccccc3)N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)C2)cc(C(C)(C)C)c1.[CH3-].[Pt].

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

The InChIKey is WNYZLPAXLQHAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50N4O.CH3.Pt/c1-48(2,3)35-24-25-51-47(29-35)54-44-21-14-13-20-42(44)43-23-22-41(31-45(43)54)55-40-19-15-18-38(30-40)53-33-52(32-46(53)34-16-11-10-12-17-34)39-27-36(49(4,5)6)26-37(28-39)50(7,8)9;;/h10-29,32H,33H2,1-9H3;1H3;/q-2;-1;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum has a molecular weight of 933.09 g/mol, XLogP of 13.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;carbanide;platinum is sourced from PubChem (CID 168748245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).