bis(dibutylazanide);hafnium(4+);methanidylbenzene

C30H50HfN2 — CID 18315045

IUPACbis(dibutylazanide);hafnium(4+);methanidylbenzene
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4]
InChIInChI=1S/2C8H18N.2C7H7.Hf/c2*1-3-5-7-9-8-6-4-2;2*1-7-5-3-2-4-6-7;/h2*3-8H2,1-2H3;2*2-6H,1H2;/q4*-1;+4
InChIKeyILAUQZZUIPDDFU-UHFFFAOYSA-N
MW617.23 g/mol
LogP9.66
Rot. Bonds12

About bis(dibutylazanide);hafnium(4+);methanidylbenzene

bis(dibutylazanide);hafnium(4+);methanidylbenzene (PubChem CID 18315045) has the molecular formula C30H50HfN2 and a molecular weight of 617.23 g/mol. Its IUPAC name is bis(dibutylazanide);hafnium(4+);methanidylbenzene.

Molecular Properties

Compound Namebis(dibutylazanide);hafnium(4+);methanidylbenzene
PubChem CID18315045
Molecular FormulaC30H50HfN2
Molecular Weight617.23 g/mol
Exact Mass618.34
IUPAC Namebis(dibutylazanide);hafnium(4+);methanidylbenzene
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4]
InChIInChI=1S/2C8H18N.2C7H7.Hf/c2*1-3-5-7-9-8-6-4-2;2*1-7-5-3-2-4-6-7;/h2*3-8H2,1-2H3;2*2-6H,1H2;/q4*-1;+4
InChIKeyILAUQZZUIPDDFU-UHFFFAOYSA-N
XLogP9.66
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.23
LogP ≤ 59.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

bis(dibutylazanide);methanidylbenzene;titanium(4+)
CID 18315006
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CID 18314916
bromozinc(1+);methanidylbenzene
CID 6101044
methanidylbenzene;uranium(2+)
CID 20736562
aluminum;lithium;bis(dibutylazanide);hydride
CID 19967643
CID 172832210
CID 172832210
lithium;methanidylbenzene;2-pentoxyacetic acid
CID 158678473
cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)
CID 150734564
magnesium;azane;methanidylbenzene;chloride
CID 172690401
Dihexyl(phenyl)silane
CID 10923838
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CID 87590211

Frequently Asked Questions

What is the IUPAC name of bis(dibutylazanide);hafnium(4+);methanidylbenzene?
The IUPAC name of bis(dibutylazanide);hafnium(4+);methanidylbenzene (CID 18315045) is bis(dibutylazanide);hafnium(4+);methanidylbenzene.
What is the SMILES notation for bis(dibutylazanide);hafnium(4+);methanidylbenzene?
The canonical SMILES for bis(dibutylazanide);hafnium(4+);methanidylbenzene is CCCC[N-]CCCC.CCCC[N-]CCCC.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].
What is the InChIKey of bis(dibutylazanide);hafnium(4+);methanidylbenzene?
The InChIKey is ILAUQZZUIPDDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H18N.2C7H7.Hf/c2*1-3-5-7-9-8-6-4-2;2*1-7-5-3-2-4-6-7;/h2*3-8H2,1-2H3;2*2-6H,1H2;/q4*-1;+4.
What are the key properties of bis(dibutylazanide);hafnium(4+);methanidylbenzene?
bis(dibutylazanide);hafnium(4+);methanidylbenzene has a molecular weight of 617.23 g/mol, XLogP of 9.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dibutylazanide);hafnium(4+);methanidylbenzene is sourced from PubChem (CID 18315045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).