ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)

C22H22Zr — CID 140556750

IUPACethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)
SMILESCC1[C-]=Cc2ccccc21.CC1[C-]=Cc2ccccc21.CC=[Zr+2]
InChIInChI=1S/2C10H9.C2H4.Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;1-2;/h2*2-5,7-8H,1H3;1H,2H3;/q2*-1;;+2
InChIKeyKNFBGGIQFSBCFI-UHFFFAOYSA-N
MW377.64 g/mol
LogP5.60
Rot. Bonds

About ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)

ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide) (PubChem CID 140556750) has the molecular formula C22H22Zr and a molecular weight of 377.64 g/mol. Its IUPAC name is ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide).

Molecular Properties

Compound Nameethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)
PubChem CID140556750
Molecular FormulaC22H22Zr
Molecular Weight377.64 g/mol
Exact Mass376.08
IUPAC Nameethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)
SMILESCC1[C-]=Cc2ccccc21.CC1[C-]=Cc2ccccc21.CC=[Zr+2]
InChIInChI=1S/2C10H9.C2H4.Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;1-2;/h2*2-5,7-8H,1H3;1H,2H3;/q2*-1;;+2
InChIKeyKNFBGGIQFSBCFI-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.64
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hafnium;1-methyl-1,2-dihydroinden-2-ide;difluoride
CID 158792609
dibromotitanium;1-methyl-1,2-dihydroinden-2-ide
CID 174700744
lithium 1-propan-2-yl-1,2-dihydroinden-2-ide
CID 140544977
CID 172999118
CID 172999118
dimethylsilylidenezirconium(2+);bis(1-ethyl-1,2-dihydroinden-2-ide);dichloride
CID 161008960
1-propyl-1,2-dihydroinden-2-ide;titanium(3+);dichloride
CID 174711446
1-methyl-1,2,4,5,6,7-hexahydroinden-2-ide;1-(2-methylpropyl)-1,2-dihydroinden-2-ide;titanium(4+);dichloride
CID 158169488
lithium 1-butyl-1,2-dihydroinden-2-ide
CID 86706728
carbanide;cyclopenta-1,3-diene;hafnium;1-(2-methylpropyl)-1,2-dihydroinden-2-ide
CID 163362666
1-[bis(3,5-dimethylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 158843998
carbanide;1,4-dimethyl-1,2-dihydroinden-2-ide;5-methylcyclopenta-1,3-diene;zirconium(4+)
CID 166523456
1-[bis(3-methylphenyl)methyl]-1,2-dihydroinden-2-ide;titanium(4+);trichloride
CID 159789565

Frequently Asked Questions

What is the IUPAC name of ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)?
The IUPAC name of ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide) (CID 140556750) is ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide).
What is the SMILES notation for ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)?
The canonical SMILES for ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide) is CC1[C-]=Cc2ccccc21.CC1[C-]=Cc2ccccc21.CC=[Zr+2].
What is the InChIKey of ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)?
The InChIKey is KNFBGGIQFSBCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9.C2H4.Zr/c2*1-8-6-7-9-4-2-3-5-10(8)9;1-2;/h2*2-5,7-8H,1H3;1H,2H3;/q2*-1;;+2.
What are the key properties of ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide)?
ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide) has a molecular weight of 377.64 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenezirconium(2+);bis(1-methyl-1,2-dihydroinden-2-ide) is sourced from PubChem (CID 140556750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).