tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)

C146H133Ir4N18O14Pt3-7 — CID 159439242

About tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)

tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide) (PubChem CID 159439242) has the molecular formula C146H133Ir4N18O14Pt3-7 and a molecular weight of 3717.88 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide).

Molecular Properties

• Compound Name: tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)
• PubChem CID: 159439242
• Molecular Formula: C146H133Ir4N18O14Pt3-7
• Molecular Weight: 3717.88 g/mol
• Exact Mass: 3718.77
• IUPAC Name: tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)
• SMILES: CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc2ccc[c-]c2n1-c1ccccn1.Cc1cc2ccc[c-]c2n1-c1ccccn1.Cc1cc2ccc[c-]c2n1-c1ccccn1.Cc1cc2ccc[c-]c2n1-c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1cccc2c3ccccc3n(-c3ccccn3)c12
• InChI: InChI=1S/3C17H11N2.4C14H11N2.4C6H5NO2.3C5H12O2.4Ir.3Pt/c3*1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)17-11-5-6-12-18-17;4*1-11-10-12-6-2-3-7-13(12)16(11)14-8-4-5-9-15-14;4*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;/h3*1-9,11-12H;4*2-6,8-10H,1H3;4*1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;;;;/q7*-1
• InChIKey: DKFLPIOFAZMSBW-UHFFFAOYSA-N
• XLogP: 27.99
• TPSA: 446.88 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3717.88
LogP ≤ 5	27.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)?

The IUPAC name of tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide) (CID 159439242) is tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide).

What is the SMILES notation for tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)?

The canonical SMILES for tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide) is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.Cc1cc2ccc[c-]c2n1-c1ccccn1.Cc1cc2ccc[c-]c2n1-c1ccccn1.Cc1cc2ccc[c-]c2n1-c1ccccn1.Cc1cc2ccc[c-]c2n1-c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[Pt].[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.[c-]1cccc2c3ccccc3n(-c3ccccn3)c12.

What is the InChIKey of tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)?

The InChIKey is DKFLPIOFAZMSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H11N2.4C14H11N2.4C6H5NO2.3C5H12O2.4Ir.3Pt/c3*1-3-9-15-13(7-1)14-8-2-4-10-16(14)19(15)17-11-5-6-12-18-17;4*1-11-10-12-6-2-3-7-13(12)16(11)14-8-4-5-9-15-14;4*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;/h3*1-9,11-12H;4*2-6,8-10H,1H3;4*1-4H,(H,8,9);3*4-7H,3H2,1-2H3;;;;;;;/q7*-1;;;;;;;;;;;;;;.

What are the key properties of tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide)?

tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide) has a molecular weight of 3717.88 g/mol, XLogP of 27.99, 17 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);tetrakis(2-methyl-1-pyridin-2-yl-7H-indol-7-ide);tris(pentane-2,4-diol);platinum;tetrakis(pyridine-2-carboxylic acid);tris(9-pyridin-2-yl-1H-carbazol-1-ide) is sourced from PubChem (CID 159439242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).