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

C19H16Cl2Zr — CID 23443914

IUPAC9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
SMILESC1=CCC(CC2c3ccccc3-c3ccccc32)=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C19H16.2ClH.Zr/c1-2-8-14(7-1)13-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19;;;/h1-7,9-12,19H,8,13H2;2*1H;/q;;;+2/p-2
InChIKeyPTPDVYMKIADDLF-UHFFFAOYSA-L
MW406.47 g/mol
LogP-0.92
Rot. Bonds2

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

9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride (PubChem CID 23443914) has the molecular formula C19H16Cl2Zr and a molecular weight of 406.47 g/mol. Its IUPAC name is 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride.

Molecular Properties

Compound Name9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
PubChem CID23443914
Molecular FormulaC19H16Cl2Zr
Molecular Weight406.47 g/mol
Exact Mass403.97
IUPAC Name9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
SMILESC1=CCC(CC2c3ccccc3-c3ccccc32)=C1.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C19H16.2ClH.Zr/c1-2-8-14(7-1)13-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19;;;/h1-7,9-12,19H,8,13H2;2*1H;/q;;;+2/p-2
InChIKeyPTPDVYMKIADDLF-UHFFFAOYSA-L
XLogP-0.92
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 ≤ 5-0.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride?
The IUPAC name of 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride (CID 23443914) is 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride.
What is the SMILES notation for 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride?
The canonical SMILES for 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride is C1=CCC(CC2c3ccccc3-c3ccccc32)=C1.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride?
The InChIKey is PTPDVYMKIADDLF-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H16.2ClH.Zr/c1-2-8-14(7-1)13-19-17-11-5-3-9-15(17)16-10-4-6-12-18(16)19;;;/h1-7,9-12,19H,8,13H2;2*1H;/q;;;+2/p-2.
What are the key properties of 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride?
9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride has a molecular weight of 406.47 g/mol, XLogP of -0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride is sourced from PubChem (CID 23443914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).