benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline

C24H16N2O2Pd — CID 139068437

IUPACbenzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline
SMILES[O-]c1ccccc1[O-].[Pd+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C6H6O2.Pd/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;7-5-3-1-2-4-6(5)8;/h1-12H;1-4,7-8H;/q;;+2/p-2
InChIKeyUMBUPSNECWMVPO-UHFFFAOYSA-L
MW470.82 g/mol
LogP4.28
Rot. Bonds1

About benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline

benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline (PubChem CID 139068437) has the molecular formula C24H16N2O2Pd and a molecular weight of 470.82 g/mol. Its IUPAC name is benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline.

Molecular Properties

Compound Namebenzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline
PubChem CID139068437
Molecular FormulaC24H16N2O2Pd
Molecular Weight470.82 g/mol
Exact Mass470.02
IUPAC Namebenzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline
SMILES[O-]c1ccccc1[O-].[Pd+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C6H6O2.Pd/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;7-5-3-1-2-4-6(5)8;/h1-12H;1-4,7-8H;/q;;+2/p-2
InChIKeyUMBUPSNECWMVPO-UHFFFAOYSA-L
XLogP4.28
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.82
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Aluminium quinolinolate
CID 129704961
Bis[(2-methylquinolin-8-yl)oxy]-[3-(trifluoromethyl)phenoxy]alumane
CID 57806319
9-Fluoro-13-phenoxy-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 170540908
Dioxydilepidin
CID 129648640
9-Acridinyl peroxide
CID 129668015
Bis(2-methyl-8-quinolinolato) Molybdenum
CID 139054921
Iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
Naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline
CID 139059131
Benzene-1,2-diolate;palladium(2+);1,10-phenanthroline;dihydrate
CID 139066065
1-(4-Carbazol-9-ylphenyl)-2,20-dioxa-21-azonia-1-boranuidapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene
CID 139161521
Copper;oxidanium;bis(2-methylquinolin-8-olate)
CID 168307754
Aquabis(2-methylquinolin-8-olato-kappa^2^N,O)zinc(II)
CID 168309101

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline?
The IUPAC name of benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline (CID 139068437) is benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline.
What is the SMILES notation for benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline?
The canonical SMILES for benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline is [O-]c1ccccc1[O-].[Pd+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline?
The InChIKey is UMBUPSNECWMVPO-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H12N2.C6H6O2.Pd/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;7-5-3-1-2-4-6(5)8;/h1-12H;1-4,7-8H;/q;;+2/p-2.
What are the key properties of benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline?
benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline has a molecular weight of 470.82 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diolate;palladium(2+);2-quinolin-2-ylquinoline is sourced from PubChem (CID 139068437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).