iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)

C50H36IrN8O10-4 — CID 173033289

IUPACiridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
SMILESCn1c(=O)c2ccccc2c2ncccc21.Cn1c(=O)c2ccccc2c2ncccc21.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Ir]
InChIInChI=1S/2C13H10N2O.4C6H5NO2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;4*8-6(9)5-3-1-2-4-7-5;/h2*2-8H,1H3;4*1-4H,(H,8,9);/p-4
InChIKeyVUNKSAWBLDECJN-UHFFFAOYSA-J
MW1101.10 g/mol
LogP1.95
Rot. Bonds4

About iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)

iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) (PubChem CID 173033289) has the molecular formula C50H36IrN8O10-4 and a molecular weight of 1101.10 g/mol. Its IUPAC name is iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate).

Molecular Properties

Compound Nameiridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
PubChem CID173033289
Molecular FormulaC50H36IrN8O10-4
Molecular Weight1101.10 g/mol
Exact Mass1101.22
IUPAC Nameiridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
SMILESCn1c(=O)c2ccccc2c2ncccc21.Cn1c(=O)c2ccccc2c2ncccc21.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Ir]
InChIInChI=1S/2C13H10N2O.4C6H5NO2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;4*8-6(9)5-3-1-2-4-7-5;/h2*2-8H,1H3;4*1-4H,(H,8,9);/p-4
InChIKeyVUNKSAWBLDECJN-UHFFFAOYSA-J
XLogP1.95
TPSA281.86 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.10
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

Iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
CID 173033262
Bis(2-[3,4-difluoro-2-(trifluoromethyl)phenyl]pyridine);iridium(3+);tris(pyridine-2-carboxylate)
CID 175869369
6-(6-Carboxylato-2-pyridinyl)pyridine-2-carboxylate;isoquinoline;ruthenium(2+)
CID 56684305
Tetraaquabis(4,4'-bipyridine)iron(II) pyridine-2,6-dicarboxylate tetrahydrate
CID 168309213
Tetraaquabis(4,4'-bipyridine)manganese(II) pyridine-2,6-dicarboxylate tetrahydrate
CID 168309279
Tetraaquabis(4,4'-bipyridine)cobalt(II) pyridine-2,6-dicarboxylate tetrahydrate
CID 168309310
Bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);osmium(4+);tetrakis(2-pyridin-2-ylpyridine)
CID 19382113
Bis(2-(4-carboxylato-2-pyridinyl)pyridine-4-carboxylate);tetrakis(2-pyridin-2-ylpyridine);ruthenium(4+)
CID 21808894
Octakis(2-(2,4-difluorophenyl)pyridine);iridium;tetrakis(pyridine-2-carboxylate)
CID 23158388
iridium;bis(5-methyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
CID 59467511
bis(5-hexyl-10H-benzo[c][1,5]naphthyridin-10-id-6-one);iridium;pyridine-2-carboxylic acid
CID 59467523
N-cyclohexyl-N-methyl-1,6-naphthyridine-2-carboxamide;1,6-naphthyridine-2-carboxylic acid
CID 69986290

Frequently Asked Questions

What is the IUPAC name of iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
The IUPAC name of iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) (CID 173033289) is iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate).
What is the SMILES notation for iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
The canonical SMILES for iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) is Cn1c(=O)c2ccccc2c2ncccc21.Cn1c(=O)c2ccccc2c2ncccc21.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Ir].
What is the InChIKey of iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
The InChIKey is VUNKSAWBLDECJN-UHFFFAOYSA-J. The full InChI is InChI=1S/2C13H10N2O.4C6H5NO2.Ir/c2*1-15-11-7-4-8-14-12(11)9-5-2-3-6-10(9)13(15)16;4*8-6(9)5-3-1-2-4-7-5;/h2*2-8H,1H3;4*1-4H,(H,8,9);/p-4.
What are the key properties of iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) has a molecular weight of 1101.10 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(5-methylbenzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) is sourced from PubChem (CID 173033289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).