lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate

C28H21LaN6O5+2 — CID 56837640

IUPAClanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate
SMILESCC(=O)CC(C)=O.O=[N+]([O-])[O-].[La+3].c1ccc(-c2ccc3c(n2)c2ncccc2c2nc4ccccc4nc32)nc1
InChIInChI=1S/C23H13N5.C5H8O2.La.NO3/c1-2-9-18-17(8-1)26-22-14-6-5-13-25-20(14)21-15(23(22)27-18)10-11-19(28-21)16-7-3-4-12-24-16;1-4(6)3-5(2)7;;2-1(3)4/h1-13H;3H2,1-2H3;;/q;;+3;-1
InChIKeyXBOWKJQXCOYUDE-UHFFFAOYSA-N
MW660.42 g/mol
LogP5.26
Rot. Bonds3

About lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate

lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate (PubChem CID 56837640) has the molecular formula C28H21LaN6O5+2 and a molecular weight of 660.42 g/mol. Its IUPAC name is lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate.

Molecular Properties

Compound Namelanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate
PubChem CID56837640
Molecular FormulaC28H21LaN6O5+2
Molecular Weight660.42 g/mol
Exact Mass660.06
IUPAC Namelanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate
SMILESCC(=O)CC(C)=O.O=[N+]([O-])[O-].[La+3].c1ccc(-c2ccc3c(n2)c2ncccc2c2nc4ccccc4nc32)nc1
InChIInChI=1S/C23H13N5.C5H8O2.La.NO3/c1-2-9-18-17(8-1)26-22-14-6-5-13-25-20(14)21-15(23(22)27-18)10-11-19(28-21)16-7-3-4-12-24-16;1-4(6)3-5(2)7;;2-1(3)4/h1-13H;3H2,1-2H3;;/q;;+3;-1
InChIKeyXBOWKJQXCOYUDE-UHFFFAOYSA-N
XLogP5.26
TPSA164.79 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

platinum(2+);6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;chloride
CID 71543302
bis(2-pyridin-2-ylpyridine);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 76514831
5-pyridin-2-yl-6,9,15,26-tetrazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2(7),3,5,8(13),9,11,14,16,18,20,22,24-tridecaene
CID 102037216
quinoxalino[2,3-f][1,7]phenanthroline;quinoxalino[2,3-f][1,10]phenanthroline
CID 118008961
bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 56973553
3,6-dimethylquinoxalino[2,3-f][1,10]phenanthroline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 140706892
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
tetrakis(3-ethyl-2-pyridin-2-ylpyridine);2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;bis(ruthenium(2+))
CID 45254856
iridium;2-(2H-naphthalen-2-id-1-yl)pyridine;pentane-2,4-dione
CID 164702305
3,8-dipyridin-2-yl-4,7-phenanthroline
CID 91243626
copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056

Frequently Asked Questions

What is the IUPAC name of lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate?
The IUPAC name of lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate (CID 56837640) is lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate.
What is the SMILES notation for lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate?
The canonical SMILES for lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate is CC(=O)CC(C)=O.O=[N+]([O-])[O-].[La+3].c1ccc(-c2ccc3c(n2)c2ncccc2c2nc4ccccc4nc32)nc1.
What is the InChIKey of lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate?
The InChIKey is XBOWKJQXCOYUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13N5.C5H8O2.La.NO3/c1-2-9-18-17(8-1)26-22-14-6-5-13-25-20(14)21-15(23(22)27-18)10-11-19(28-21)16-7-3-4-12-24-16;1-4(6)3-5(2)7;;2-1(3)4/h1-13H;3H2,1-2H3;;/q;;+3;-1.
What are the key properties of lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate?
lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate has a molecular weight of 660.42 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum(3+);pentane-2,4-dione;6-pyridin-2-ylquinoxalino[2,3-f][1,10]phenanthroline;nitrate is sourced from PubChem (CID 56837640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).