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

C53H55N4OPt-3 — CID 162449724

About 2-[3-tert-butyl-5-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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 162449724) has the molecular formula C53H55N4OPt-3 and a molecular weight of 959.13 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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: 162449724
• Molecular Formula: C53H55N4OPt-3
• Molecular Weight: 959.13 g/mol
• Exact Mass: 958.40
• IUPAC Name: 2-[3-tert-butyl-5-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)C1=CN(c2cccc(C(C)(C)c3ccccc3)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C53H55N4O.Pt/c1-50(2,3)37-26-27-54-49(31-37)57-46-23-16-15-22-44(46)45-25-24-42(33-47(45)57)58-43-30-39(51(4,5)6)29-41(32-43)56-35-55(34-48(56)52(7,8)9)40-21-17-20-38(28-40)53(10,11)36-18-13-12-14-19-36;/h12-31,34-35H,1-11H3;/q-3
• InChIKey: BOUKSBRDMHBCSK-UHFFFAOYSA-N
• XLogP: 13.82
• 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	959.13
LogP ≤ 5	13.82
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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162449724) is 2-[3-tert-butyl-5-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)C1=CN(c2cccc(C(C)(C)c3ccccc3)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)C)ccn2)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-tert-butyl-5-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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 BOUKSBRDMHBCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H55N4O.Pt/c1-50(2,3)37-26-27-54-49(31-37)57-46-23-16-15-22-44(46)45-25-24-42(33-47(45)57)58-43-30-39(51(4,5)6)29-41(32-43)56-35-55(34-48(56)52(7,8)9)40-21-17-20-38(28-40)53(10,11)36-18-13-12-14-19-36;/h12-31,34-35H,1-11H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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 959.13 g/mol, XLogP of 13.82, 7 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-[5-tert-butyl-3-[3-(2-phenylpropan-2-yl)phenyl]-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 162449724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).