bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)

C16H28HfN4 — CID 89396210

IUPACbis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)
SMILESC[N-]C.C[N-]C.Cc1cc[c-](C)n1.Cc1cc[c-](C)n1.[Hf+4]
InChIInChI=1S/2C6H8N.2C2H6N.Hf/c2*1-5-3-4-6(2)7-5;2*1-3-2;/h2*3-4H,1-2H3;2*1-2H3;/q4*-1;+4
InChIKeyFYZRMXZAXZRZTB-UHFFFAOYSA-N
MW454.92 g/mol
LogP4.07
Rot. Bonds

About bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)

bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+) (PubChem CID 89396210) has the molecular formula C16H28HfN4 and a molecular weight of 454.92 g/mol. Its IUPAC name is bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+).

Molecular Properties

Compound Namebis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)
PubChem CID89396210
Molecular FormulaC16H28HfN4
Molecular Weight454.92 g/mol
Exact Mass456.18
IUPAC Namebis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)
SMILESC[N-]C.C[N-]C.Cc1cc[c-](C)n1.Cc1cc[c-](C)n1.[Hf+4]
InChIInChI=1S/2C6H8N.2C2H6N.Hf/c2*1-5-3-4-6(2)7-5;2*1-3-2;/h2*3-4H,1-2H3;2*1-2H3;/q4*-1;+4
InChIKeyFYZRMXZAXZRZTB-UHFFFAOYSA-N
XLogP4.07
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.92
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2,5-Trimethylpyrrole
CID 70260
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline
CID 762122
1H-Pyrrole, 1-ethyl-2,5-dimethyl-
CID 78741
2,5-Dimethyl-1-octadecylpyrrole
CID 459071
1-Butyl-2,5-dimethyl-1H-pyrrole
CID 527528
Phlorin
CID 20055371
1-Cyclohexyl-2,5-dimethyl-1h-pyrrole
CID 472065
1H-Pyrrole, 1,1'-(dithiodi(2,1-ethanediyl))bis(2,5-dimethyl-
CID 3073863
1,1'-Hexane-1,6-diylbis(2,5-dimethyl-1h-pyrrole)
CID 247629
1,4-Bis(2,5-dimethyl-1H-pyrrol-1-yl)benzene
CID 459086
1-Hexyl-2,5-dimethyl-pyrrole
CID 463880
2,5-Dimethyl-1-propyl-1H-pyrrole
CID 527547

Frequently Asked Questions

What is the IUPAC name of bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)?
The IUPAC name of bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+) (CID 89396210) is bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+).
What is the SMILES notation for bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)?
The canonical SMILES for bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+) is C[N-]C.C[N-]C.Cc1cc[c-](C)n1.Cc1cc[c-](C)n1.[Hf+4].
What is the InChIKey of bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)?
The InChIKey is FYZRMXZAXZRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N.2C2H6N.Hf/c2*1-5-3-4-6(2)7-5;2*1-3-2;/h2*3-4H,1-2H3;2*1-2H3;/q4*-1;+4.
What are the key properties of bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+)?
bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+) has a molecular weight of 454.92 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dimethylazanide);bis(2,5-dimethylpyrrol-5-ide);hafnium(4+) is sourced from PubChem (CID 89396210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).