2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum

C59H66N3OPt-3 — CID 155652296

About 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum

2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum (PubChem CID 155652296) has the molecular formula C59H66N3OPt-3 and a molecular weight of 1028.27 g/mol. Its IUPAC name is 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum.

Molecular Properties

• Compound Name: 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
• PubChem CID: 155652296
• Molecular Formula: C59H66N3OPt-3
• Molecular Weight: 1028.27 g/mol
• Exact Mass: 1027.49
• IUPAC Name: 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum
• SMILES: CC(C)(C)C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c(C3(c4ccccn4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)ccc2)ccc1.[Pt]
• InChI: InChI=1S/C59H66N3O.Pt/c1-54(2,3)39-25-27-48-49-28-26-40(55(4,5)6)35-51(49)59(50(48)34-39,52-24-16-17-29-60-52)41-20-18-22-46(33-41)63-47-23-19-21-44(36-47)62-38-61(37-53(62)58(13,14)15)45-31-42(56(7,8)9)30-43(32-45)57(10,11)12;/h16-32,34-35,37-38H,1-15H3;/q-3
• InChIKey: XPIODNSXIGFPAK-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.27
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?

The IUPAC name of 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum (CID 155652296) is 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum.

What is the SMILES notation for 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?

The canonical SMILES for 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum is CC(C)(C)C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c(C3(c4ccccn4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)ccc2)ccc1.[Pt].

What is the InChIKey of 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?

The InChIKey is XPIODNSXIGFPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H66N3O.Pt/c1-54(2,3)39-25-27-48-49-28-26-40(55(4,5)6)35-51(49)59(50(48)34-39,52-24-16-17-29-60-52)41-20-18-22-46(33-41)63-47-23-19-21-44(36-47)62-38-61(37-53(62)58(13,14)15)45-31-42(56(7,8)9)30-43(32-45)57(10,11)12;/h16-32,34-35,37-38H,1-15H3;/q-3;.

What are the key properties of 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum?

2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum has a molecular weight of 1028.27 g/mol, XLogP of 15.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,7-ditert-butyl-9-[3-[3-[5-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum is sourced from PubChem (CID 155652296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).