cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)

C17H35HfN3 — CID 18785001

IUPACcyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[Hf+4]
InChIInChI=1S/C5H5.3C4H10N.Hf/c1-2-4-5-3-1;3*1-3-5-4-2;/h1-3H,4H2;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyMKEORMRMRRCIBA-UHFFFAOYSA-N
MW459.98 g/mol
LogP5.50
Rot. Bonds6

About cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)

cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+) (PubChem CID 18785001) has the molecular formula C17H35HfN3 and a molecular weight of 459.98 g/mol. Its IUPAC name is cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)
PubChem CID18785001
Molecular FormulaC17H35HfN3
Molecular Weight459.98 g/mol
Exact Mass461.23
IUPAC Namecyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[Hf+4]
InChIInChI=1S/C5H5.3C4H10N.Hf/c1-2-4-5-3-1;3*1-3-5-4-2;/h1-3H,4H2;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeyMKEORMRMRRCIBA-UHFFFAOYSA-N
XLogP5.50
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.98
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)?
The IUPAC name of cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+) (CID 18785001) is cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+) is CC[N-]CC.CC[N-]CC.CC[N-]CC.[C-]1=CC=CC1.[Hf+4].
What is the InChIKey of cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)?
The InChIKey is MKEORMRMRRCIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3C4H10N.Hf/c1-2-4-5-3-1;3*1-3-5-4-2;/h1-3H,4H2;3*3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+)?
cyclopenta-1,3-diene;tris(diethylazanide);hafnium(4+) has a molecular weight of 459.98 g/mol, XLogP of 5.50, 6 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(diethylazanide);hafnium(4+) is sourced from PubChem (CID 18785001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).