bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)

C29H22Cl4N3O4Ta — CID 139067917

IUPACbis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)
SMILESClCCl.ClCCl.[O-2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Ta+5]
InChIInChI=1S/3C9H7NO.2CH2Cl2.O.Ta/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;2*2-1-3;;/h3*1-6,11H;2*1H2;;/q;;;;;-2;+5/p-3
InChIKeyDDGNQEJHHWCKGT-UHFFFAOYSA-K
MW799.27 g/mol
LogP6.65
Rot. Bonds

About bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)

bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+) (PubChem CID 139067917) has the molecular formula C29H22Cl4N3O4Ta and a molecular weight of 799.27 g/mol. Its IUPAC name is bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+).

Molecular Properties

Compound Namebis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)
PubChem CID139067917
Molecular FormulaC29H22Cl4N3O4Ta
Molecular Weight799.27 g/mol
Exact Mass796.98
IUPAC Namebis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)
SMILESClCCl.ClCCl.[O-2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Ta+5]
InChIInChI=1S/3C9H7NO.2CH2Cl2.O.Ta/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;2*2-1-3;;/h3*1-6,11H;2*1H2;;/q;;;;;-2;+5/p-3
InChIKeyDDGNQEJHHWCKGT-UHFFFAOYSA-K
XLogP6.65
TPSA136.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.27
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Oxine-copper
CID 3032555
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
Bis(quinolin-8-olato-N1,O8)nickel
CID 84198
Gallium 8-hydroxyquinolinate
CID 16686135
Zinc oxyquinolate
CID 84127
Magnesium, bis(8-quinolinolato-kappaN1,kappaO8)-, (T-4)-
CID 106206
Dibutyl-bis(8-quinolyloxy)stannane
CID 16683146
8-Quinolinol, magnesium salt
CID 517006

Frequently Asked Questions

What is the IUPAC name of bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)?
The IUPAC name of bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+) (CID 139067917) is bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+).
What is the SMILES notation for bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)?
The canonical SMILES for bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+) is ClCCl.ClCCl.[O-2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Ta+5].
What is the InChIKey of bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)?
The InChIKey is DDGNQEJHHWCKGT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C9H7NO.2CH2Cl2.O.Ta/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;2*2-1-3;;/h3*1-6,11H;2*1H2;;/q;;;;;-2;+5/p-3.
What are the key properties of bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+)?
bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+) has a molecular weight of 799.27 g/mol, XLogP of 6.65, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichloromethane);oxygen(2-);tris(quinolin-8-olate);tantalum(5+) is sourced from PubChem (CID 139067917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).