bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))

C198H154N10O26Pr4 — CID 139073043

IUPACbis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Pr+3].[Pr+3].[Pr+3].[Pr+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.12C12H10O2.2C3H7NO.4Pr/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-4(2)3-5;;;;/h4*1-8H;12*1-7H,8H2,(H,13,14);2*3H,1-2H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12
InChIKeyHFYFOCDSVRWHQC-UHFFFAOYSA-B
MW3653.09 g/mol
LogP24.13
Rot. Bonds26

About bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))

bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+)) (PubChem CID 139073043) has the molecular formula C198H154N10O26Pr4 and a molecular weight of 3653.09 g/mol. Its IUPAC name is bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+)).

Molecular Properties

Compound Namebis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))
PubChem CID139073043
Molecular FormulaC198H154N10O26Pr4
Molecular Weight3653.09 g/mol
Exact Mass3650.73
IUPAC Namebis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))
SMILESCN(C)C=O.CN(C)C=O.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Pr+3].[Pr+3].[Pr+3].[Pr+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.12C12H10O2.2C3H7NO.4Pr/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-4(2)3-5;;;;/h4*1-8H;12*1-7H,8H2,(H,13,14);2*3H,1-2H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12
InChIKeyHFYFOCDSVRWHQC-UHFFFAOYSA-B
XLogP24.13
TPSA625.30 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms238
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003653.09
LogP ≤ 524.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2,3-bis(carboxymethyl)butanedioate;(3S,4R)-3,4-dicarboxy-6-hydroxy-6-oxohexanoate;(3R,4S)-3,4-dicarboxy-6-hydroxy-6-oxohexanoate;bis(nickel(2+));tetrakis(1,10-phenanthroline);hexahydrate
CID 139044158
Bis[copper(I)-di-1,10-phenanthroline)]terephthalate bisperchlorate
CID 139057769
Tetrakis(mu-anthracene-9-carboxylato)-kappa^4^O:O';kappa^3^O,O':O';kappa^3^O:O,O'-bis[(anthracene-9-carboxylato-kappa^2^O,O')(1,10-phenanthroline-kappa^2^N,N')erbium(III)]
CID 139060480
mu-Aqua-kappa^2^O:O-di-mu-phenylacetato-kappa^2^O:O'-bis[(1,10-phenanthroline-kappa^2^N,N')(phenylacetato-kappaO)cobalt(II)]
CID 139068707
Hexakis(mu-naphthalene-1-acetato)bis[(1,10-phenanthroline)gadolinium(III)] N,N-dimethylformamide disolvate
CID 139073044
Tetrakis(mu-naphthalene-1-acetato)bis[(naphthalene-1-acetato)(1,10-phenanthroline)samarium(III) N,N-dimethylformamide disolvate
CID 139073268
Hexakis(2-naphthalen-1-ylacetate);bis(1,10-phenanthroline);bis(ytterbium(3+))
CID 139073272
Bis(1,10-phenanthroline-kappa^2^N,N')(phenylacetato-kappaO)copper(II) phenylacetate hexahydrate
CID 139075559
Manganese;tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);bis(uranium(4+))
CID 139143540
Bis(cobalt(3+));tetrakis(octanedioate);tetrakis(oxygen(2-));tetrakis(1,10-phenanthroline);uranium
CID 139143541
Bis(4-carboxy-2-(3-carboxy-5-carboxylatophenyl)benzoate);bis(manganese(2+));tetrakis(1,10-phenanthroline);hexahydrate
CID 139147831
Dizinc;bis(2-[3-(carboxylatomethyl)phenyl]acetate);bis(1,10-phenanthroline);octahydrate
CID 139149630

Frequently Asked Questions

What is the IUPAC name of bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))?
The IUPAC name of bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+)) (CID 139073043) is bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+)).
What is the SMILES notation for bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))?
The canonical SMILES for bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+)) is CN(C)C=O.CN(C)C=O.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.O=C([O-])Cc1cccc2ccccc12.[Pr+3].[Pr+3].[Pr+3].[Pr+3].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))?
The InChIKey is HFYFOCDSVRWHQC-UHFFFAOYSA-B. The full InChI is InChI=1S/4C12H8N2.12C12H10O2.2C3H7NO.4Pr/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12*13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10;2*1-4(2)3-5;;;;/h4*1-8H;12*1-7H,8H2,(H,13,14);2*3H,1-2H3;;;;/q;;;;;;;;;;;;;;;;;;4*+3/p-12.
What are the key properties of bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+))?
bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+)) has a molecular weight of 3653.09 g/mol, XLogP of 24.13, 26 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N,N-dimethylformamide);dodecakis(2-naphthalen-1-ylacetate);tetrakis(1,10-phenanthroline);tetrakis(praseodymium(3+)) is sourced from PubChem (CID 139073043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).