hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

C196H146N18Nd4O28 — CID 139173905

IUPAChexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.[Nd+3].[Nd+3].[Nd+3].[Nd+3]
InChIInChI=1S/4C16H11N3O3.8C15H12O2.6C2H3N.4Nd/c4*20-15-3-1-2-11-4-5-13(18-16(11)15)10-17-12-6-8-14(9-7-12)19(21)22;8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;6*1-2-3;;;;/h4*1-10,20H;8*1-11,16H;6*1H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b4*17-10+;8*14-11-;;;;;;;;;;
InChIKeyZBBPDMOHPFROIT-KRPWBGSWSA-B
MW3778.38 g/mol
LogP33.21
Rot. Bonds36

About hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)

hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (PubChem CID 139173905) has the molecular formula C196H146N18Nd4O28 and a molecular weight of 3778.38 g/mol. Its IUPAC name is hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).

Molecular Properties

Compound Namehexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
PubChem CID139173905
Molecular FormulaC196H146N18Nd4O28
Molecular Weight3778.38 g/mol
Exact Mass3766.69
IUPAC Namehexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.[Nd+3].[Nd+3].[Nd+3].[Nd+3]
InChIInChI=1S/4C16H11N3O3.8C15H12O2.6C2H3N.4Nd/c4*20-15-3-1-2-11-4-5-13(18-16(11)15)10-17-12-6-8-14(9-7-12)19(21)22;8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;6*1-2-3;;;;/h4*1-10,20H;8*1-11,16H;6*1H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b4*17-10+;8*14-11-;;;;;;;;;;
InChIKeyZBBPDMOHPFROIT-KRPWBGSWSA-B
XLogP33.21
TPSA829.58 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms246
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003778.38
LogP ≤ 533.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The IUPAC name of hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) (CID 139173905) is hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate).
What is the SMILES notation for hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The canonical SMILES for hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.O=[N+]([O-])c1ccc(/N=C/c2ccc3cccc([O-])c3n2)cc1.[Nd+3].[Nd+3].[Nd+3].[Nd+3].
What is the InChIKey of hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
The InChIKey is ZBBPDMOHPFROIT-KRPWBGSWSA-B. The full InChI is InChI=1S/4C16H11N3O3.8C15H12O2.6C2H3N.4Nd/c4*20-15-3-1-2-11-4-5-13(18-16(11)15)10-17-12-6-8-14(9-7-12)19(21)22;8*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;6*1-2-3;;;;/h4*1-10,20H;8*1-11,16H;6*1H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12/b4*17-10+;8*14-11-;;;;;;;;;;.
What are the key properties of hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate)?
hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) has a molecular weight of 3778.38 g/mol, XLogP of 33.21, 36 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(acetonitrile);tetrakis(neodymium(3+));tetrakis(2-[(4-nitrophenyl)iminomethyl]quinolin-8-olate);octakis((Z)-3-oxo-1,3-diphenylprop-1-en-1-olate) is sourced from PubChem (CID 139173905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).