10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid

C23H15IrN2O2- — CID 59015419

IUPAC10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cn1.[Ir].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H8N.C10H7NO2.Ir/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-5,7-9H;1-6H,(H,12,13);/q-1;;
InChIKeyKYYOWLZCUADSHY-UHFFFAOYSA-N
MW543.60 g/mol
LogP5.12
Rot. Bonds1

About 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid

10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid (PubChem CID 59015419) has the molecular formula C23H15IrN2O2- and a molecular weight of 543.60 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid
PubChem CID59015419
Molecular FormulaC23H15IrN2O2-
Molecular Weight543.60 g/mol
Exact Mass544.08
IUPAC Name10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2cn1.[Ir].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C13H8N.C10H7NO2.Ir/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-5,7-9H;1-6H,(H,12,13);/q-1;;
InChIKeyKYYOWLZCUADSHY-UHFFFAOYSA-N
XLogP5.12
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.60
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid (CID 59015419) is 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2cn1.[Ir].[c-]1cccc2ccc3cccnc3c12.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid?
The InChIKey is KYYOWLZCUADSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N.C10H7NO2.Ir/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;12-10(13)9-5-7-3-1-2-4-8(7)6-11-9;/h1-5,7-9H;1-6H,(H,12,13);/q-1;;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid?
10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid has a molecular weight of 543.60 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;iridium;isoquinoline-3-carboxylic acid is sourced from PubChem (CID 59015419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).