1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride

C20H18Cl2Zr — CID 19935939

IUPAC1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
SMILESCC(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C20H18.2ClH.Zr/c1-14(15-7-2-3-8-15)17-11-6-12-19-18-10-5-4-9-16(18)13-20(17)19;;;/h2-7,9-12,14H,8,13H2,1H3;2*1H;/q;;;+2/p-2
InChIKeySDWAJLZXZAGKJF-UHFFFAOYSA-L
MW420.49 g/mol
LogP-0.75
Rot. Bonds2

About 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride

1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride (PubChem CID 19935939) has the molecular formula C20H18Cl2Zr and a molecular weight of 420.49 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride.

Molecular Properties

Compound Name1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
PubChem CID19935939
Molecular FormulaC20H18Cl2Zr
Molecular Weight420.49 g/mol
Exact Mass417.98
IUPAC Name1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
SMILESCC(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C20H18.2ClH.Zr/c1-14(15-7-2-3-8-15)17-11-6-12-19-18-10-5-4-9-16(18)13-20(17)19;;;/h2-7,9-12,14H,8,13H2,1H3;2*1H;/q;;;+2/p-2
InChIKeySDWAJLZXZAGKJF-UHFFFAOYSA-L
XLogP-0.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride?
The IUPAC name of 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride (CID 19935939) is 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride.
What is the SMILES notation for 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride?
The canonical SMILES for 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride is CC(C1=CC=CC1)c1cccc2c1Cc1ccccc1-2.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride?
The InChIKey is SDWAJLZXZAGKJF-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H18.2ClH.Zr/c1-14(15-7-2-3-8-15)17-11-6-12-19-18-10-5-4-9-16(18)13-20(17)19;;;/h2-7,9-12,14H,8,13H2,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride?
1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride has a molecular weight of 420.49 g/mol, XLogP of -0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride is sourced from PubChem (CID 19935939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).