tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide

C288H300Gd8N28O32 — CID 139178902

IUPACtetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide
SMILESCC#N.CC#N.CC#N.CC#N.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/12C16H12N2O.8C11H20O2.4C2H3N.8Gd.4H2O/c12*19-15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12;8*1-10(2,3)8(12)7-9(13)11(4,5)6;4*1-2-3;;;;;;;;;;;;/h12*1-11,19H;8*7,12H,1-6H3;4*1H3;;;;;;;;;4*1H2/q;;;;;;;;;;;;;;;;;;;;;;;;8*+3;;;;/p-24/b12*18-11+;2*8-7+;8-7-;;;;;;;;;;;;;;;;;;;;;
InChIKeyOUEUWHQJSSQXPL-RFQJKFMQSA-A
MW5923.73 g/mol
LogP53.26
Rot. Bonds32

About tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide

tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide (PubChem CID 139178902) has the molecular formula C288H300Gd8N28O32 and a molecular weight of 5923.73 g/mol. Its IUPAC name is tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide.

Molecular Properties

Compound Nametetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide
PubChem CID139178902
Molecular FormulaC288H300Gd8N28O32
Molecular Weight5923.73 g/mol
Exact Mass5925.66
IUPAC Nametetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide
SMILESCC#N.CC#N.CC#N.CC#N.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[OH-].[OH-].[OH-].[OH-]
InChIInChI=1S/12C16H12N2O.8C11H20O2.4C2H3N.8Gd.4H2O/c12*19-15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12;8*1-10(2,3)8(12)7-9(13)11(4,5)6;4*1-2-3;;;;;;;;;;;;/h12*1-11,19H;8*7,12H,1-6H3;4*1H3;;;;;;;;;4*1H2/q;;;;;;;;;;;;;;;;;;;;;;;;8*+3;;;;/p-24/b12*18-11+;2*8-7+;8-7-;;;;;;;;;;;;;;;;;;;;;
InChIKeyOUEUWHQJSSQXPL-RFQJKFMQSA-A
XLogP53.26
TPSA1115.92 Ų
H-Bond Donors
H-Bond Acceptors60
Rotatable Bonds32
Heavy Atoms356
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005923.73
LogP ≤ 553.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1060

Analyze tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide with MolForge

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Related Compounds

Bis(acetato-kappaO)bis(mu~3~-quinolin-8-olato-kappa^4^N,O:O:O)tetrakis(mu~2~-quinolin-8-olato-kappa^3^N,O:O)tetrazinc(II) dihydrate
CID 139076884
1,2-Dimethoxyethane;hexakis(quinolin-8-olate);bis(scandium(3+))
CID 139156738
bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide
CID 139167797
Magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170863
Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170864
Dicalcium;chloroform;tetrakis(erbium(3+));hexadecakis(quinolin-8-olate)
CID 139170865
Magnesium;chloroform;bis(erbium(3+));octakis(quinolin-8-olate)
CID 139170866
tetrakis(dysprosium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172231
tetrakis(erbium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172233
tetrakis(gadolinium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172234
tetrakis(holmium(3+));tetrakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);hexakis(5-(pyridin-4-ylmethylideneamino)quinolin-8-olate);dihydroxide
CID 139172235
tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(dysprosium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide
CID 139178901

Frequently Asked Questions

What is the IUPAC name of tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide?
The IUPAC name of tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide (CID 139178902) is tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide.
What is the SMILES notation for tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide?
The canonical SMILES for tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide is CC#N.CC#N.CC#N.CC#N.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(/[O-])C(C)(C)C.CC(C)(C)C(=O)/C=C(\[O-])C(C)(C)C.[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[Gd+3].[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[O-]c1ccc(/N=C/c2ccccc2)c2cccnc12.[OH-].[OH-].[OH-].[OH-].
What is the InChIKey of tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide?
The InChIKey is OUEUWHQJSSQXPL-RFQJKFMQSA-A. The full InChI is InChI=1S/12C16H12N2O.8C11H20O2.4C2H3N.8Gd.4H2O/c12*19-15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12;8*1-10(2,3)8(12)7-9(13)11(4,5)6;4*1-2-3;;;;;;;;;;;;/h12*1-11,19H;8*7,12H,1-6H3;4*1H3;;;;;;;;;4*1H2/q;;;;;;;;;;;;;;;;;;;;;;;;8*+3;;;;/p-24/b12*18-11+;2*8-7+;8-7-;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide?
tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide has a molecular weight of 5923.73 g/mol, XLogP of 53.26, 32 rotatable bonds, 0 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(acetonitrile);dodecakis(5-(benzylideneamino)quinolin-8-olate);octakis(gadolinium(3+));octakis((Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate);tetrahydroxide is sourced from PubChem (CID 139178902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).