Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide

C₂₈H₂₃IrN₂- — CID 158614986

About Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide

Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide (PubChem CID 158614986) has the molecular formula C₂₈H₂₃IrN₂- and a molecular weight of 579.72 g/mol. Its IUPAC name is iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide.

Molecular Properties

• Compound Name: Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide
• PubChem CID: 158614986
• Molecular Formula: C₂₈H₂₃IrN₂-
• Molecular Weight: 579.72 g/mol
• Exact Mass: 580.15
• IUPAC Name: iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide
• SMILES: Cc1cnc2c(c1)CCc1ccc[c-]c1-2.Cc1cnc2c(ccc3ccccc32)c1.[Ir]
• InChI: InChI=1S/C14H12N.C14H11N.Ir/c2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;/h2-4,8-9H,6-7H2,1H3;2-9H,1H3;/q-1
• InChIKey: ILQLVQBRSCYMHG-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.72
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?

The IUPAC name of Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide (CID 158614986) is iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide.

What is the SMILES notation for Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?

The canonical SMILES for Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide is Cc1cnc2c(c1)CCc1ccc[c-]c1-2.Cc1cnc2c(ccc3ccccc32)c1.[Ir].

What is the InChIKey of Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?

The InChIKey is ILQLVQBRSCYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N.C14H11N.Ir/c2*1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;/h2-4,8-9H,6-7H2,1H3;2-9H,1H3;/q-1;;.

What are the key properties of Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide?

Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide has a molecular weight of 579.72 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Iridium;3-methylbenzo[h]quinoline;3-methyl-6,10-dihydro-5H-benzo[h]quinolin-10-ide is sourced from PubChem (CID 158614986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158614986 — identifiers, structure, computed properties (public domain)

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