2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium

C20H14Cl2Zr2-2 — CID 90184896

IUPAC2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium
SMILESClC(Cl)(Cc1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Zr].[Zr]
InChIInChI=1S/C20H14Cl2.2Zr/c21-20(22,19-11-17-7-3-4-8-18(17)12-19)13-14-9-15-5-1-2-6-16(15)10-14;;/h1-12H,13H2;;/q-2;;
InChIKeyGPEMGFIOGOJZEV-UHFFFAOYSA-N
MW507.69 g/mol
LogP6.30
Rot. Bonds3

About 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium

2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium (PubChem CID 90184896) has the molecular formula C20H14Cl2Zr2-2 and a molecular weight of 507.69 g/mol. Its IUPAC name is 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium.

Molecular Properties

Compound Name2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium
PubChem CID90184896
Molecular FormulaC20H14Cl2Zr2-2
Molecular Weight507.69 g/mol
Exact Mass503.86
IUPAC Name2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium
SMILESClC(Cl)(Cc1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Zr].[Zr]
InChIInChI=1S/C20H14Cl2.2Zr/c21-20(22,19-11-17-7-3-4-8-18(17)12-19)13-14-9-15-5-1-2-6-16(15)10-14;;/h1-12H,13H2;;/q-2;;
InChIKeyGPEMGFIOGOJZEV-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.69
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
tetrakis(2-tert-butyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 22463160
2-butyl-1H-inden-1-ide;chromium
CID 150230338
bis(2-butyl-1H-inden-1-ide);titanium(4+);dichloride
CID 174396357
2-butyl-1H-inden-1-ide;titanium(3+);diiodide
CID 174711476
bis(2-butyl-1H-inden-1-ide);hafnium(4+);dichloride
CID 21080024
2-benzyl-1H-inden-1-ide;titanium(3+);difluoride
CID 174711331
CID 173161362
CID 173161362
2-[2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;bis(trifluoromethanesulfonate);zirconium(4+)
CID 21226342
CID 172721451
CID 172721451
CID 173162612
CID 173162612

Frequently Asked Questions

What is the IUPAC name of 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium?
The IUPAC name of 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium (CID 90184896) is 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium.
What is the SMILES notation for 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium?
The canonical SMILES for 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium is ClC(Cl)(Cc1cc2ccccc2[cH-]1)c1cc2ccccc2[cH-]1.[Zr].[Zr].
What is the InChIKey of 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium?
The InChIKey is GPEMGFIOGOJZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2.2Zr/c21-20(22,19-11-17-7-3-4-8-18(17)12-19)13-14-9-15-5-1-2-6-16(15)10-14;;/h1-12H,13H2;;/q-2;;.
What are the key properties of 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium?
2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium has a molecular weight of 507.69 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1-dichloro-2-(1H-inden-1-id-2-yl)ethyl]-1H-inden-1-ide;zirconium is sourced from PubChem (CID 90184896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).