N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate

C39H33HfN5O6 — CID 139078843

IUPACN,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate
SMILESCN(C)C=O.O.[Hf+4].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/4C9H7NO.C3H7NO.Hf.H2O/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(2)3-5;;/h4*1-6,11H;3H,1-2H3;;1H2/q;;;;;+4;/p-4
InChIKeyFGHHCVZUQVMCSO-UHFFFAOYSA-J
MW846.21 g/mol
LogP4.11
Rot. Bonds1

About N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate

N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate (PubChem CID 139078843) has the molecular formula C39H33HfN5O6 and a molecular weight of 846.21 g/mol. Its IUPAC name is N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate.

Molecular Properties

Compound NameN,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate
PubChem CID139078843
Molecular FormulaC39H33HfN5O6
Molecular Weight846.21 g/mol
Exact Mass847.19
IUPAC NameN,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate
SMILESCN(C)C=O.O.[Hf+4].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/4C9H7NO.C3H7NO.Hf.H2O/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(2)3-5;;/h4*1-6,11H;3H,1-2H3;;1H2/q;;;;;+4;/p-4
InChIKeyFGHHCVZUQVMCSO-UHFFFAOYSA-J
XLogP4.11
TPSA195.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500846.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

Cunilate
CID 56840841
Diisopropoxybis(chinoline-8-olato)titanium(IV)
CID 24202322
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
CID 168338853
CID 168338853
Tetrakis(quinolin-8-olate);zirconium(4+)
CID 139195714
Oxovanadium;propan-2-ol;bis(quinolin-8-ol)
CID 140673145
Tris[(5-fluoroquinolin-8-yl)oxy]alumane
CID 58090173
(5-Fluoro-1-methylquinolin-1-ium-8-yl)oxy-bis[(5-fluoroquinolin-8-yl)oxy]alumane
CID 59288622
Bis(2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);bis(iridium);2-methylquinolin-8-ol;quinolin-8-ol
CID 158262844
Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride
CID 368279

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate?
The IUPAC name of N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate (CID 139078843) is N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate.
What is the SMILES notation for N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate?
The canonical SMILES for N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate is CN(C)C=O.O.[Hf+4].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate?
The InChIKey is FGHHCVZUQVMCSO-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H7NO.C3H7NO.Hf.H2O/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(2)3-5;;/h4*1-6,11H;3H,1-2H3;;1H2/q;;;;;+4;/p-4.
What are the key properties of N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate?
N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate has a molecular weight of 846.21 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;hafnium(4+);tetrakis(quinolin-8-olate);hydrate is sourced from PubChem (CID 139078843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).