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

C24H45Cl3Hf3 — CID 173293314

IUPACcarbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
SMILESCl.Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4]
InChIInChI=1S/3C5H5.9CH3.3ClH.3Hf/c3*1-2-4-5-3-1;;;;;;;;;;;;;;;/h3*1-3H,4H2;9*1H3;3*1H;;;/q12*-1;;;;3*+4
InChIKeyZXSGMVQAKJURIT-UHFFFAOYSA-N
MW975.45 g/mol
LogP9.23
Rot. Bonds

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

carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride (PubChem CID 173293314) has the molecular formula C24H45Cl3Hf3 and a molecular weight of 975.45 g/mol. Its IUPAC name is carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride.

Molecular Properties

Compound Namecarbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
PubChem CID173293314
Molecular FormulaC24H45Cl3Hf3
Molecular Weight975.45 g/mol
Exact Mass978.10
IUPAC Namecarbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride
SMILESCl.Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4]
InChIInChI=1S/3C5H5.9CH3.3ClH.3Hf/c3*1-2-4-5-3-1;;;;;;;;;;;;;;;/h3*1-3H,4H2;9*1H3;3*1H;;;/q12*-1;;;;3*+4
InChIKeyZXSGMVQAKJURIT-UHFFFAOYSA-N
XLogP9.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.45
LogP ≤ 59.23
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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Related Compounds

carbanide;cyclopenta-1,3-diene;titanium(2+);hydrochloride
CID 174301832
carbanide;bis(cyclopenta-1,3-diene);molybdenum(4+)
CID 175390139
bis(cyclopenta-1,3-diene);titanium(2+);hydrochloride
CID 20516591
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
carbanide;cyclopenta-1,3-diene;platinum(4+)
CID 53443065
bis(cyclopenta-1,3-diene);niobium(2+);dihydrochloride
CID 87245014
zinc;carbanide;cyclopenta-1,3-diene
CID 23116545
carbanide;cyclopenta-1,3-diene;zinc
CID 173150447
cyclopenta-1,3-diene;niobium;tetrahydrochloride
CID 173012463
carbanide;cyclopenta-1,3-diene;iridium tetrahydride
CID 173399564
carbanide;pentakis(cyclopenta-1,3-diene);platinum
CID 175422555
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310

Frequently Asked Questions

What is the IUPAC name of carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride?
The IUPAC name of carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride (CID 173293314) is carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride.
What is the SMILES notation for carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride?
The canonical SMILES for carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride is Cl.Cl.Cl.[C-]1=CC=CC1.[C-]1=CC=CC1.[C-]1=CC=CC1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Hf+4].[Hf+4].[Hf+4].
What is the InChIKey of carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride?
The InChIKey is ZXSGMVQAKJURIT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H5.9CH3.3ClH.3Hf/c3*1-2-4-5-3-1;;;;;;;;;;;;;;;/h3*1-3H,4H2;9*1H3;3*1H;;;/q12*-1;;;;3*+4.
What are the key properties of carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride?
carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride has a molecular weight of 975.45 g/mol, XLogP of 9.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(cyclopenta-1,3-diene);tris(hafnium(4+));trihydrochloride is sourced from PubChem (CID 173293314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).