1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum

C55H65N4OPt-3 — CID 162449607

About 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum

1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum (PubChem CID 162449607) has the molecular formula C55H65N4OPt-3 and a molecular weight of 993.23 g/mol. Its IUPAC name is 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum
• PubChem CID: 162449607
• Molecular Formula: C55H65N4OPt-3
• Molecular Weight: 993.23 g/mol
• Exact Mass: 992.48
• IUPAC Name: 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum
• SMILES: Cc1nn(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c(C)c1C(C)(C)c1ccccc1.[Pt]
• InChI: InChI=1S/C55H65N4O.Pt/c1-36-50(55(15,16)38-22-18-17-19-23-38)37(2)59(56-36)45-30-42(54(12,13)14)32-47(34-45)60-46-31-41(53(9,10)11)29-44(33-46)58-35-57(48-24-20-21-25-49(48)58)43-27-39(51(3,4)5)26-40(28-43)52(6,7)8;/h17-32,35H,1-16H3;/q-3
• InChIKey: VVCYSBGZHDMGAX-UHFFFAOYSA-N
• XLogP: 14.80
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.23
LogP ≤ 5	14.80
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 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum?

The IUPAC name of 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum (CID 162449607) is 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum?

The canonical SMILES for 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum is Cc1nn(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c(C)c1C(C)(C)c1ccccc1.[Pt].

What is the InChIKey of 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum?

The InChIKey is VVCYSBGZHDMGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H65N4O.Pt/c1-36-50(55(15,16)38-22-18-17-19-23-38)37(2)59(56-36)45-30-42(54(12,13)14)32-47(34-45)60-46-31-41(53(9,10)11)29-44(33-46)58-35-57(48-24-20-21-25-49(48)58)43-27-39(51(3,4)5)26-40(28-43)52(6,7)8;/h17-32,35H,1-16H3;/q-3;.

What are the key properties of 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum?

1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum has a molecular weight of 993.23 g/mol, XLogP of 14.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-tert-butyl-5-[3-tert-butyl-5-[3,5-dimethyl-4-(2-phenylpropan-2-yl)pyrazol-1-yl]benzene-6-id-1-yl]oxybenzene-6-id-1-yl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-ide;platinum is sourced from PubChem (CID 162449607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).