2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

C47H43N4OPt-3 — CID 155652197

About 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum

2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 155652197) has the molecular formula C47H43N4OPt-3 and a molecular weight of 874.97 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155652197
• Molecular Formula: C47H43N4OPt-3
• Molecular Weight: 874.97 g/mol
• Exact Mass: 874.31
• IUPAC Name: 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: Cc1ccc(-c2ccccc2)cc1N1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[CH-]1.[Pt]
• InChI: InChI=1S/C47H43N4O.Pt/c1-32-17-18-34(33-13-9-8-10-14-33)25-43(32)50-24-23-49(31-50)37-26-36(47(5,6)7)27-39(29-37)52-38-19-20-41-40-15-11-12-16-42(40)51(44(41)30-38)45-28-35(21-22-48-45)46(2,3)4;/h8-28,31H,1-7H3;/q-3
• InChIKey: WUXRKYZWEBKKBP-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.97
LogP ≤ 5	12.06
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-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 155652197) is 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is Cc1ccc(-c2ccccc2)cc1N1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)cc(C(C)(C)C)c2)[CH-]1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The InChIKey is WUXRKYZWEBKKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H43N4O.Pt/c1-32-17-18-34(33-13-9-8-10-14-33)25-43(32)50-24-23-49(31-50)37-26-36(47(5,6)7)27-39(29-37)52-38-19-20-41-40-15-11-12-16-42(40)51(44(41)30-38)45-28-35(21-22-48-45)46(2,3)4;/h8-28,31H,1-7H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 874.97 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(2-methyl-5-phenylphenyl)-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).