tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide

C138H111Ir4N9O4-8 — CID 159498298

About tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide

tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide (PubChem CID 159498298) has the molecular formula C138H111Ir4N9O4-8 and a molecular weight of 2728.33 g/mol. Its IUPAC name is tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide.

Molecular Properties

• Compound Name: tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide
• PubChem CID: 159498298
• Molecular Formula: C138H111Ir4N9O4-8
• Molecular Weight: 2728.33 g/mol
• Exact Mass: 2729.73
• IUPAC Name: tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide
• SMILES: CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2cc3ccccc3[n-]2)nc1
• InChI: InChI=1S/4C20H18NO.3C15H10N.C13H9N2.4Ir/c4*1-13(2)10-14-7-5-9-18-17(14)11-19-20(21-18)16-8-4-3-6-15(16)12-22-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;;;;/h4*3-7,9,11,13H,10,12H2,1-2H3;1-7,9-11H;2*1-6,8-11H;1-9H;;;;/q8*-1
• InChIKey: JYMULAZZIGNVGX-UHFFFAOYSA-N
• XLogP: 33.13
• TPSA: 154.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2728.33
LogP ≤ 5	33.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide?

The IUPAC name of tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide (CID 159498298) is tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide.

What is the SMILES notation for tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide?

The canonical SMILES for tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide is CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.CC(C)Cc1cccc2nc3c(cc12)OCc1ccc[c-]c1-3.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1cc2ccccc2cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2cc3ccccc3[n-]2)nc1.

What is the InChIKey of tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide?

The InChIKey is JYMULAZZIGNVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H18NO.3C15H10N.C13H9N2.4Ir/c4*1-13(2)10-14-7-5-9-18-17(14)11-19-20(21-18)16-8-4-3-6-15(16)12-22-19;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-2-6-11-10(5-1)9-13(15-11)12-7-3-4-8-14-12;;;;/h4*3-7,9,11,13H,10,12H2,1-2H3;1-7,9-11H;2*1-6,8-11H;1-9H;;;;/q8*-1;;;;.

What are the key properties of tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide?

tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide has a molecular weight of 2728.33 g/mol, XLogP of 33.13, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(iridium);tetrakis(8-(2-methylpropyl)-1,5-dihydroisochromeno[4,3-b]quinolin-1-ide);1-phenylisoquinoline;3-phenylisoquinoline;2-phenylquinoline;2-pyridin-2-ylindol-1-ide is sourced from PubChem (CID 159498298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).