1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride

C20H16Cl2Zr — CID 170854391

IUPAC1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride
SMILES[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)cc[c-]2CC[c-]1ccc2ccccc21
InChIInChI=1S/C20H16.2ClH.Zr/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-12H,13-14H2;2*1H;/q-2;;;+4/p-2
InChIKeyTYGIJVHJINRQJV-UHFFFAOYSA-L
MW418.48 g/mol
LogP-0.78
Rot. Bonds3

About 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride

1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride (PubChem CID 170854391) has the molecular formula C20H16Cl2Zr and a molecular weight of 418.48 g/mol. Its IUPAC name is 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride.

Molecular Properties

Compound Name1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride
PubChem CID170854391
Molecular FormulaC20H16Cl2Zr
Molecular Weight418.48 g/mol
Exact Mass415.97
IUPAC Name1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride
SMILES[Cl-].[Cl-].[Zr+4].c1ccc2c(c1)cc[c-]2CC[c-]1ccc2ccccc21
InChIInChI=1S/C20H16.2ClH.Zr/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-12H,13-14H2;2*1H;/q-2;;;+4/p-2
InChIKeyTYGIJVHJINRQJV-UHFFFAOYSA-L
XLogP-0.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 5-0.78
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

Fluorene
CID 6853
Fluoranthene
CID 9154
Acenaphthene
CID 6734
2,3-Dihydro-1,1,3-trimethyl-3-phenyl-1H-indene
CID 19793
Acenaphthene-d10
CID 177559
9,9-Diphenylfluorene
CID 413569
1-Methyl-3-phenylindane
CID 22924
9-Methylene-9H-fluorene
CID 78147
9,9'-Bifluorene
CID 137063
Fluorene-D10
CID 6913203
1H-Indene, 3,3'-(1,2-ethanediyl)bis-
CID 3488033
9H-Fluorene, 9-(9H-fluoren-9-ylidene)-
CID 136564

Frequently Asked Questions

What is the IUPAC name of 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride?
The IUPAC name of 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride (CID 170854391) is 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride.
What is the SMILES notation for 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride?
The canonical SMILES for 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride is [Cl-].[Cl-].[Zr+4].c1ccc2c(c1)cc[c-]2CC[c-]1ccc2ccccc21.
What is the InChIKey of 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride?
The InChIKey is TYGIJVHJINRQJV-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H16.2ClH.Zr/c1-3-7-19-15(5-1)9-11-17(19)13-14-18-12-10-16-6-2-4-8-20(16)18;;;/h1-12H,13-14H2;2*1H;/q-2;;;+4/p-2.
What are the key properties of 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride?
1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride has a molecular weight of 418.48 g/mol, XLogP of -0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-inden-1-id-1-ylethyl)inden-1-ide;zirconium(4+);dichloride is sourced from PubChem (CID 170854391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).