iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)

C52H34F6IrN8O10-4 — CID 173033262

IUPACiridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
SMILESCn1c(=O)c2c(C(F)(F)F)cccc2c2ncccc21.Cn1c(=O)c2c(C(F)(F)F)cccc2c2ncccc21.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Ir]
InChIInChI=1S/2C14H9F3N2O.4C6H5NO2.Ir/c2*1-19-10-6-3-7-18-12(10)8-4-2-5-9(14(15,16)17)11(8)13(19)20;4*8-6(9)5-3-1-2-4-7-5;/h2*2-7H,1H3;4*1-4H,(H,8,9);/p-4
InChIKeyITZXSBAFFIUSPC-UHFFFAOYSA-J
MW1237.09 g/mol
LogP3.99
Rot. Bonds4

About iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)

iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) (PubChem CID 173033262) has the molecular formula C52H34F6IrN8O10-4 and a molecular weight of 1237.09 g/mol. Its IUPAC name is iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate).

Molecular Properties

Compound Nameiridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
PubChem CID173033262
Molecular FormulaC52H34F6IrN8O10-4
Molecular Weight1237.09 g/mol
Exact Mass1237.20
IUPAC Nameiridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)
SMILESCn1c(=O)c2c(C(F)(F)F)cccc2c2ncccc21.Cn1c(=O)c2c(C(F)(F)F)cccc2c2ncccc21.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.O=C([O-])c1ccccn1.[Ir]
InChIInChI=1S/2C14H9F3N2O.4C6H5NO2.Ir/c2*1-19-10-6-3-7-18-12(10)8-4-2-5-9(14(15,16)17)11(8)13(19)20;4*8-6(9)5-3-1-2-4-7-5;/h2*2-7H,1H3;4*1-4H,(H,8,9);/p-4
InChIKeyITZXSBAFFIUSPC-UHFFFAOYSA-J
XLogP3.99
TPSA281.86 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.09
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;bis(5-methyl-7-(trifluoromethyl)-10H-benzo[c][1,5]naphthyridin-10-id-6-one);pyridine-2-carboxylic acid
CID 59467512
methane;[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine;N-[[5-methyl-6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]-5-pyrazin-2-ylpyridine-2-carboxamide;5-pyrazin-2-ylpyridine-2-carboxylic acid
CID 159323720
6-acetyl-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid;6-(2-hydroxypropan-2-yl)-4-methyl-N-(pyridin-2-ylmethyl)-8-(trifluoromethyl)quinoline-2-carboxamide;6-(2-hydroxypropan-2-yl)-4-methyl-8-(trifluoromethyl)quinoline-2-carboxylic acid
CID 159326265
Iridium(3+);tris(pyridine-2-carboxylate);bis(5-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyridine)
CID 174145537
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
Bis(2,6-difluoro-3-pyridin-2-ylbenzonitrile);iridium(3+);tris(pyridine-2-carboxylate)
CID 22494991
Octakis(2-(2,4-difluorophenyl)pyridine);iridium;tetrakis(pyridine-2-carboxylate)
CID 23158388
N-benzyl-N-hydroxyisoquinoline-3-carboxamide;N-benzyl-N-hydroxy-5-(3-methylphenyl)pyridine-2-carboxamide;N-benzyl-N-hydroxy-4-piperidin-1-ylpyridine-2-carboxamide;N-benzyl-N-hydroxy-5-pyrrolidin-1-ylpyridine-2-carboxamide;N,N-dimethylisoquinoline-3-carboxamide;N-hydroxy-N-(2-phenylethyl)isoquinoline-3-carboxamide;N-methyl-N-phenylmethoxyisoquinoline-3-carboxamide;N-phenylmethoxyisoquinoline-3-carboxamide
CID 157242374
Bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(4+);tetrakis(pyridine-2-carboxylate)
CID 159036084
Bis(2-(2,4-difluorophenyl)quinoline);iridium(3+);tris(pyridine-2-carboxylate)
CID 159992195
Iridium(3+);tris(3-(3-methylphenyl)pyridine-2-carboxylate);bis(2-phenylquinoline)
CID 160460603

Frequently Asked Questions

What is the IUPAC name of iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
The IUPAC name of iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) (CID 173033262) is iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate).
What is the SMILES notation for iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
The canonical SMILES for iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) is Cn1c(=O)c2c(C(F)(F)F)cccc2c2ncccc21.Cn1c(=O)c2c(C(F)(F)F)cccc2c2ncccc21.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-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
The InChIKey is ITZXSBAFFIUSPC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C14H9F3N2O.4C6H5NO2.Ir/c2*1-19-10-6-3-7-18-12(10)8-4-2-5-9(14(15,16)17)11(8)13(19)20;4*8-6(9)5-3-1-2-4-7-5;/h2*2-7H,1H3;4*1-4H,(H,8,9);/p-4.
What are the key properties of iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate)?
iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) has a molecular weight of 1237.09 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(5-methyl-7-(trifluoromethyl)benzo[c][1,5]naphthyridin-6-one);tetrakis(pyridine-2-carboxylate) is sourced from PubChem (CID 173033262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).