bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide

C140H110N14O16Tb4 — CID 139179263

IUPACbis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide
SMILESC/C([O-])=C/C(=O)c1ccccc1.C/C([O-])=C/C(=O)c1ccccc1.CC#N.CC#N.CC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.[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-].[Tb+3].[Tb+3].[Tb+3].[Tb+3]
InChIInChI=1S/6C16H12N2O.4C10H10O2.2C2H3N.2H2O.4Tb/c6*19-15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12;4*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2-3;;;;;;/h6*1-11,19H;2*2-7,12H,1H3;2*2-7,11H,1H3;2*1H3;2*1H2;;;;/q;;;;;;;;;;;;;;4*+3/p-12/b6*18-11+;2*10-7-;2*8-7-;;;;;;;;
InChIKeyIPOULHMEPJMZSX-ABSOMOPPSA-B
MW2880.20 g/mol
LogP23.28
Rot. Bonds20

About bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide

bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide (PubChem CID 139179263) has the molecular formula C140H110N14O16Tb4 and a molecular weight of 2880.20 g/mol. Its IUPAC name is bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide.

Molecular Properties

Compound Namebis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide
PubChem CID139179263
Molecular FormulaC140H110N14O16Tb4
Molecular Weight2880.20 g/mol
Exact Mass2878.52
IUPAC Namebis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide
SMILESC/C([O-])=C/C(=O)c1ccccc1.C/C([O-])=C/C(=O)c1ccccc1.CC#N.CC#N.CC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.[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-].[Tb+3].[Tb+3].[Tb+3].[Tb+3]
InChIInChI=1S/6C16H12N2O.4C10H10O2.2C2H3N.2H2O.4Tb/c6*19-15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12;4*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2-3;;;;;;/h6*1-11,19H;2*2-7,12H,1H3;2*2-7,11H,1H3;2*1H3;2*1H2;;;;/q;;;;;;;;;;;;;;4*+3/p-12/b6*18-11+;2*10-7-;2*8-7-;;;;;;;;
InChIKeyIPOULHMEPJMZSX-ABSOMOPPSA-B
XLogP23.28
TPSA557.96 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002880.20
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide with MolForge

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Related Compounds

dioxidanium;bis(dysprosium(3+));methanol;bis((NE,4Z)-N-[(8-oxidoquinolin-2-yl)methylidene]pyridine-4-carbohydrazonate);bis((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 168349298
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
bis(dichloromethane);tetrakis(dysprosium(3+));tetrakis((Z)-4-oxopent-2-en-2-olate);hexakis(quinolin-8-olate);dihydroxide
CID 139167797
tetrakis(2-[(4-methoxyphenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
CID 139168399
bis(acetonitrile);bis(N,N-dimethylformamide);bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
CID 139169672
hexakis(acetonitrile);ethanol;bis((NE,1Z,2E)-2-hydroxyimino-N-[(8-oxidoquinolin-2-yl)methylidene]propanehydrazonate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate);tetrakis(terbium(3+))
CID 139169678
Calcium;bis(dysprosium(3+));octakis(quinolin-8-olate)
CID 139170864
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 bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide?
The IUPAC name of bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide (CID 139179263) is bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide.
What is the SMILES notation for bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide?
The canonical SMILES for bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide is C/C([O-])=C/C(=O)c1ccccc1.C/C([O-])=C/C(=O)c1ccccc1.CC#N.CC#N.CC(=O)/C=C(\[O-])c1ccccc1.CC(=O)/C=C(\[O-])c1ccccc1.[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-].[Tb+3].[Tb+3].[Tb+3].[Tb+3].
What is the InChIKey of bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide?
The InChIKey is IPOULHMEPJMZSX-ABSOMOPPSA-B. The full InChI is InChI=1S/6C16H12N2O.4C10H10O2.2C2H3N.2H2O.4Tb/c6*19-15-9-8-14(13-7-4-10-17-16(13)15)18-11-12-5-2-1-3-6-12;4*1-8(11)7-10(12)9-5-3-2-4-6-9;2*1-2-3;;;;;;/h6*1-11,19H;2*2-7,12H,1H3;2*2-7,11H,1H3;2*1H3;2*1H2;;;;/q;;;;;;;;;;;;;;4*+3/p-12/b6*18-11+;2*10-7-;2*8-7-;;;;;;;;.
What are the key properties of bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide?
bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide has a molecular weight of 2880.20 g/mol, XLogP of 23.28, 20 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);hexakis(5-(benzylideneamino)quinolin-8-olate);bis((Z)-3-oxo-1-phenylbut-1-en-1-olate);bis((Z)-4-oxo-4-phenylbut-2-en-2-olate);tetrakis(terbium(3+));dihydroxide is sourced from PubChem (CID 139179263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).