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

C53H49N4OPt-3 — CID 168748002

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum (PubChem CID 168748002) has the molecular formula C53H49N4OPt-3 and a molecular weight of 953.08 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum
• PubChem CID: 168748002
• Molecular Formula: C53H49N4OPt-3
• Molecular Weight: 953.08 g/mol
• Exact Mass: 952.36
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum
• SMILES: CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)C=C2c2ccccc2)c1.[CH3-].[Pt]
• InChI: InChI=1S/C52H46N4O.CH3.Pt/c1-51(2,3)39-26-27-53-50(31-39)56-47-23-14-13-22-45(47)46-25-24-44(33-48(46)56)57-43-21-15-20-41(32-43)54-34-49(37-18-11-8-12-19-37)55(35-54)42-29-38(36-16-9-7-10-17-36)28-40(30-42)52(4,5)6;;/h7-31,34H,35H2,1-6H3;1H3;/q-2;-1
• InChIKey: DNOLZPCBZOSGFW-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.08
LogP ≤ 5	13.56
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-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum?

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum (CID 168748002) is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum.

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

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum is CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)C=C2c2ccccc2)c1.[CH3-].[Pt].

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

The InChIKey is DNOLZPCBZOSGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N4O.CH3.Pt/c1-51(2,3)39-26-27-53-50(31-39)56-47-23-14-13-22-45(47)46-25-24-44(33-48(46)56)57-43-21-15-20-41(32-43)54-34-49(37-18-11-8-12-19-37)55(35-54)42-29-38(36-16-9-7-10-17-36)28-40(30-42)52(4,5)6;;/h7-31,34H,35H2,1-6H3;1H3;/q-2;-1;.

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum has a molecular weight of 953.08 g/mol, XLogP of 13.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-phenyl-2H-imidazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;carbanide;platinum is sourced from PubChem (CID 168748002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).