dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene

C20H18Cl2Zr — CID 53486413

IUPACdichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene
SMILESC1=CC(CCC2C=Cc3ccccc32)c2ccccc21.Cl[Zr]Cl
InChIInChI=1S/C20H18.2ClH.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;;;/h1-12,17-18H,13-14H2;2*1H;/q;;;+2/p-2
InChIKeyIJSDUKZKUCXMRL-UHFFFAOYSA-L
MW420.49 g/mol
LogP6.76
Rot. Bonds3

About dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene

dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene (PubChem CID 53486413) has the molecular formula C20H18Cl2Zr and a molecular weight of 420.49 g/mol. Its IUPAC name is dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene
PubChem CID53486413
Molecular FormulaC20H18Cl2Zr
Molecular Weight420.49 g/mol
Exact Mass417.98
IUPAC Namedichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene
SMILESC1=CC(CCC2C=Cc3ccccc32)c2ccccc21.Cl[Zr]Cl
InChIInChI=1S/C20H18.2ClH.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;;;/h1-12,17-18H,13-14H2;2*1H;/q;;;+2/p-2
InChIKeyIJSDUKZKUCXMRL-UHFFFAOYSA-L
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene?
The IUPAC name of dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene (CID 53486413) is dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene.
What is the SMILES notation for dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene?
The canonical SMILES for dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene is C1=CC(CCC2C=Cc3ccccc32)c2ccccc21.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene?
The InChIKey is IJSDUKZKUCXMRL-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H18.2ClH.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;;;/h1-12,17-18H,13-14H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene?
dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene has a molecular weight of 420.49 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;1-[2-(1H-inden-1-yl)ethyl]-1H-indene is sourced from PubChem (CID 53486413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).