bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene

C17H18Hf-4 — CID 173319869

IUPACbis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]c1ccccc1.[H-].[Hf]
InChIInChI=1S/C7H7.2C5H5.Hf.H/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;/h2-6H,1H2;2*1-3H,4H2;;/q3*-1;;-1
InChIKeyMIDXDFCHLKAYIN-UHFFFAOYSA-N
MW400.82 g/mol
LogP4.59
Rot. Bonds

About bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene

bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene (PubChem CID 173319869) has the molecular formula C17H18Hf-4 and a molecular weight of 400.82 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene
PubChem CID173319869
Molecular FormulaC17H18Hf-4
Molecular Weight400.82 g/mol
Exact Mass402.09
IUPAC Namebis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]c1ccccc1.[H-].[Hf]
InChIInChI=1S/C7H7.2C5H5.Hf.H/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;/h2-6H,1H2;2*1-3H,4H2;;/q3*-1;;-1
InChIKeyMIDXDFCHLKAYIN-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.82
LogP ≤ 54.59
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

bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
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bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
CID 174807203
cyclopenta-1,3-diene;methanidylbenzene;methanol;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide;titanium(3+)
CID 88526556
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CID 67644722
CID 22023634
CID 22023634
CID 173338562
CID 173338562
bromobenzene;cyclopenta-1,3-diene;zirconium
CID 174293313
benzene;cyclopenta-1,3-diene;titanium;dihydrochloride
CID 174656990
bis(cyclopenta-1,3-diene);hafnium;hydrochloride
CID 87593145
cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
cyclopenta-1,3-diene;phenol;titanium;hydrochloride
CID 173190949

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene?
The IUPAC name of bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene (CID 173319869) is bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene.
What is the SMILES notation for bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene?
The canonical SMILES for bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene is [C-]1=CC=CC1.[C-]1=CC=CC1.[CH2-]c1ccccc1.[H-].[Hf].
What is the InChIKey of bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene?
The InChIKey is MIDXDFCHLKAYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.2C5H5.Hf.H/c1-7-5-3-2-4-6-7;2*1-2-4-5-3-1;;/h2-6H,1H2;2*1-3H,4H2;;/q3*-1;;-1.
What are the key properties of bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene?
bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene has a molecular weight of 400.82 g/mol, XLogP of 4.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene is sourced from PubChem (CID 173319869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).