2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

C52H33N4OPt-3 — CID 171595777

About 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum

2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 171595777) has the molecular formula C52H33N4OPt-3 and a molecular weight of 924.94 g/mol. Its IUPAC name is 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 171595777
• Molecular Formula: C52H33N4OPt-3
• Molecular Weight: 924.94 g/mol
• Exact Mass: 924.23
• IUPAC Name: 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)C=C1c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Pt]
• InChI: InChI=1S/C52H33N4O.Pt/c1-54-33-55(35-13-12-14-36(30-35)57-37-25-27-43-42-18-5-9-22-48(42)56(49(43)31-37)51-23-10-11-28-53-51)32-50(54)34-24-26-41-40-17-4-8-21-46(40)52(47(41)29-34)44-19-6-2-15-38(44)39-16-3-7-20-45(39)52;/h2-29,32-33H,1H3;/q-3
• InChIKey: JVWDAQOUBALQPN-UHFFFAOYSA-N
• XLogP: 11.78
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.94
LogP ≤ 5	11.78
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-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 171595777) is 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)ccc2)C=C1c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.[Pt].

What is the InChIKey of 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The InChIKey is JVWDAQOUBALQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N4O.Pt/c1-54-33-55(35-13-12-14-36(30-35)57-37-25-27-43-42-18-5-9-22-48(42)56(49(43)31-37)51-23-10-11-28-53-51)32-50(54)34-24-26-41-40-17-4-8-21-46(40)52(47(41)29-34)44-19-6-2-15-38(44)39-16-3-7-20-45(39)52;/h2-29,32-33H,1H3;/q-3;.

What are the key properties of 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 924.94 g/mol, XLogP of 11.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-methyl-4-(9,9'-spirobi[fluorene]-2-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171595777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).