naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline

C28H18N2O2Pd — CID 139059131

IUPACnaphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline
SMILES[O-]c1cc2ccccc2cc1[O-].[Pd+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C10H8O2.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;11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-12H;1-6,11-12H;/q;;+2/p-2
InChIKeyATVBJCYMYUUVGR-UHFFFAOYSA-L
MW520.88 g/mol
LogP5.43
Rot. Bonds1

About naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline

naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline (PubChem CID 139059131) has the molecular formula C28H18N2O2Pd and a molecular weight of 520.88 g/mol. Its IUPAC name is naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline.

Molecular Properties

Compound Namenaphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline
PubChem CID139059131
Molecular FormulaC28H18N2O2Pd
Molecular Weight520.88 g/mol
Exact Mass520.04
IUPAC Namenaphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline
SMILES[O-]c1cc2ccccc2cc1[O-].[Pd+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C10H8O2.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;11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-12H;1-6,11-12H;/q;;+2/p-2
InChIKeyATVBJCYMYUUVGR-UHFFFAOYSA-L
XLogP5.43
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.88
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[3,5-Bis(trifluoromethyl)phenyl]naphthalen-2-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 57831695
[4-(4-Fluorophenyl)naphthalen-1-yl]oxy-bis[(2-methylquinolin-8-yl)oxy]alumane
CID 58251639
Bis[(2-methylquinolin-8-yl)oxy]-[4-(2,3,4,5,6-pentafluorophenyl)phenoxy]alumane
CID 59399538
2-Methyl-8-[5-(2-methylquinolin-8-yl)oxydibenzotellurophen-5-yl]oxyquinoline
CID 134909128
Iron(3+);tris(2-methylquinolin-8-olate)
CID 139058244
Naphthalene-2,3-diolate;palladium(2+);2-pyridin-2-ylpyridine
CID 139059130
(1,2-Benzenediolato-kappa^2^O,O')((2,2'-biquinoline-kappa^2^N,N')palladium(II)
CID 139068437
Bis(1-[(2-methylquinolin-8-yl)iminomethyl]naphthalen-2-olate);bis(oxygen(2-));uranium
CID 139139744
Tin, bis(2-butyl-8-quinolinolato)-
CID 16685852
CID 20588542
CID 20588542
Cyclohexa-1,3-dien-1-yloxy-bis[(2-methylquinolin-8-yl)oxy]gallane
CID 20617966
Chloro-bis[(2-methyl-5-phenylquinolin-8-yl)oxy]gallane
CID 20617967

Frequently Asked Questions

What is the IUPAC name of naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline?
The IUPAC name of naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline (CID 139059131) is naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline.
What is the SMILES notation for naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline?
The canonical SMILES for naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline is [O-]c1cc2ccccc2cc1[O-].[Pd+2].c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline?
The InChIKey is ATVBJCYMYUUVGR-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H12N2.C10H8O2.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;11-9-5-7-3-1-2-4-8(7)6-10(9)12;/h1-12H;1-6,11-12H;/q;;+2/p-2.
What are the key properties of naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline?
naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline has a molecular weight of 520.88 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2,3-diolate;palladium(2+);2-quinolin-2-ylquinoline is sourced from PubChem (CID 139059131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).