iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid

C35H24IrN6O4-2 — CID 59467504

IUPACiridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid
SMILESCn1c(=O)c2ccc[c-]c2c2ncccc21.Cn1c(=O)c2ccc[c-]c2c2ncccc21.O=C(O)c1cnc2ccccc2n1.[Ir]
InChIInChI=1S/2C13H9N2O.C9H6N2O2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;12-9(13)8-5-10-6-3-1-2-4-7(6)11-8;/h2*2-4,6-8H,1H3;1-5H,(H,12,13);/q2*-1;;
InChIKeyXFGQREAATYUPAI-UHFFFAOYSA-N
MW784.83 g/mol
LogP5.10
Rot. Bonds1

About iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid

iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid (PubChem CID 59467504) has the molecular formula C35H24IrN6O4-2 and a molecular weight of 784.83 g/mol. Its IUPAC name is iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid.

Molecular Properties

Compound Nameiridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid
PubChem CID59467504
Molecular FormulaC35H24IrN6O4-2
Molecular Weight784.83 g/mol
Exact Mass785.15
IUPAC Nameiridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid
SMILESCn1c(=O)c2ccc[c-]c2c2ncccc21.Cn1c(=O)c2ccc[c-]c2c2ncccc21.O=C(O)c1cnc2ccccc2n1.[Ir]
InChIInChI=1S/2C13H9N2O.C9H6N2O2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;12-9(13)8-5-10-6-3-1-2-4-7(6)11-8;/h2*2-4,6-8H,1H3;1-5H,(H,12,13);/q2*-1;;
InChIKeyXFGQREAATYUPAI-UHFFFAOYSA-N
XLogP5.10
TPSA132.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.83
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

iridium;bis(5-methyl-7-(trifluoromethyl)-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
CID 59467512
iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyrazine-2-carboxylic acid
CID 59467509
iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
CID 59467511
Bis(5,6-dimethyl-6,10-dihydrobenzo[c][1,5]naphthyridin-10-ide);iridium;pyridine-2-carboxylic acid
CID 59467515
bis(5-hexyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);iridium;pyridine-2-carboxylic acid
CID 59467523

Frequently Asked Questions

What is the IUPAC name of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid?
The IUPAC name of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid (CID 59467504) is iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid.
What is the SMILES notation for iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid?
The canonical SMILES for iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid is Cn1c(=O)c2ccc[c-]c2c2ncccc21.Cn1c(=O)c2ccc[c-]c2c2ncccc21.O=C(O)c1cnc2ccccc2n1.[Ir].
What is the InChIKey of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid?
The InChIKey is XFGQREAATYUPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9N2O.C9H6N2O2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;12-9(13)8-5-10-6-3-1-2-4-7(6)11-8;/h2*2-4,6-8H,1H3;1-5H,(H,12,13);/q2*-1;;.
What are the key properties of iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid?
iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid has a molecular weight of 784.83 g/mol, XLogP of 5.10, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);quinoxaline-2-carboxylic acid is sourced from PubChem (CID 59467504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).