cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)

C26H47HfN3 — CID 173317423

IUPACcyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)
SMILESC=CCCC[N-]CC.C=CCCC[N-]CC.C=CCCC[N-]CC.[C-]1=CC=CC1.[Hf+4]
InChIInChI=1S/3C7H14N.C5H5.Hf/c3*1-3-5-6-7-8-4-2;1-2-4-5-3-1;/h3*3H,1,4-7H2,2H3;1-3H,4H2;/q4*-1;+4
InChIKeyWSIGSGBOCZIAKC-UHFFFAOYSA-N
MW580.17 g/mol
LogP8.34
Rot. Bonds15

About cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)

cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+) (PubChem CID 173317423) has the molecular formula C26H47HfN3 and a molecular weight of 580.17 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)
PubChem CID173317423
Molecular FormulaC26H47HfN3
Molecular Weight580.17 g/mol
Exact Mass581.32
IUPAC Namecyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)
SMILESC=CCCC[N-]CC.C=CCCC[N-]CC.C=CCCC[N-]CC.[C-]1=CC=CC1.[Hf+4]
InChIInChI=1S/3C7H14N.C5H5.Hf/c3*1-3-5-6-7-8-4-2;1-2-4-5-3-1;/h3*3H,1,4-7H2,2H3;1-3H,4H2;/q4*-1;+4
InChIKeyWSIGSGBOCZIAKC-UHFFFAOYSA-N
XLogP8.34
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.17
LogP ≤ 58.34
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

carbanide;cyclopenta-1,3-diene;tris(dibutylazanide);titanium(3+)
CID 173323257
buta-1,3-diene;cyclopenta-1,3-diene;tris(dimethylazanide);titanium(4+)
CID 19035435
cyclopenta-1,3-diene;tris(dipropylazanide);titanium(4+)
CID 173323248
cyclopenta-1,3-diene;tris(dimethylazanide);hafnium(4+)
CID 87349857
buta-1,3-diene;cyclopenta-1,3-diene;bis(dimethylazanide);2-methylpropane;titanium(4+)
CID 19035409
but-1-ene;cyclopenta-1,3-diene;zirconium(3+);trichloride
CID 175228375
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
cyclopenta-1,3-diene;platinum;propane
CID 175387408
magnesium;cyclopenta-1,3-diene;propane
CID 140515591
cobalt;cyclopenta-1,3-diene;ethene
CID 173205523
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)?
The IUPAC name of cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+) (CID 173317423) is cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+) is C=CCCC[N-]CC.C=CCCC[N-]CC.C=CCCC[N-]CC.[C-]1=CC=CC1.[Hf+4].
What is the InChIKey of cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)?
The InChIKey is WSIGSGBOCZIAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H14N.C5H5.Hf/c3*1-3-5-6-7-8-4-2;1-2-4-5-3-1;/h3*3H,1,4-7H2,2H3;1-3H,4H2;/q4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+)?
cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+) has a molecular weight of 580.17 g/mol, XLogP of 8.34, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;tris(ethyl(pent-4-enyl)azanide);hafnium(4+) is sourced from PubChem (CID 173317423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).