2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride

C19H16Cl2Zr — CID 22726390

IUPAC2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
SMILESC1=C(CC2=Cc3ccccc3C2)Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C19H16.2ClH.Zr/c1-2-6-17-11-14(10-16(17)5-1)9-15-12-18-7-3-4-8-19(18)13-15;;;/h1-8,10,12H,9,11,13H2;2*1H;/q;;;+2/p-2
InChIKeyAVQBPAYFNFMYPE-UHFFFAOYSA-L
MW406.47 g/mol
LogP-1.34
Rot. Bonds2

About 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride

2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride (PubChem CID 22726390) has the molecular formula C19H16Cl2Zr and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride.

Molecular Properties

Compound Name2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
PubChem CID22726390
Molecular FormulaC19H16Cl2Zr
Molecular Weight406.47 g/mol
Exact Mass403.97
IUPAC Name2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride
SMILESC1=C(CC2=Cc3ccccc3C2)Cc2ccccc21.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C19H16.2ClH.Zr/c1-2-6-17-11-14(10-16(17)5-1)9-15-12-18-7-3-4-8-19(18)13-15;;;/h1-8,10,12H,9,11,13H2;2*1H;/q;;;+2/p-2
InChIKeyAVQBPAYFNFMYPE-UHFFFAOYSA-L
XLogP-1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride?
The IUPAC name of 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride (CID 22726390) is 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride.
What is the SMILES notation for 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride?
The canonical SMILES for 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride is C1=C(CC2=Cc3ccccc3C2)Cc2ccccc21.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride?
The InChIKey is AVQBPAYFNFMYPE-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H16.2ClH.Zr/c1-2-6-17-11-14(10-16(17)5-1)9-15-12-18-7-3-4-8-19(18)13-15;;;/h1-8,10,12H,9,11,13H2;2*1H;/q;;;+2/p-2.
What are the key properties of 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride?
2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride has a molecular weight of 406.47 g/mol, XLogP of -1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-2-ylmethyl)-1H-indene;zirconium(2+);dichloride is sourced from PubChem (CID 22726390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).