cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride

C20H18Cl2Zr-2 — CID 160913737

IUPACcyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride
SMILESCC=[Zr+2].[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1
InChIInChI=1S/C13H9.C5H5.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-2;;;/h1-5,7-8H,9H2;1-5H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNMBJKMHGOXAQAP-UHFFFAOYSA-L
MW420.49 g/mol
LogP-1.17
Rot. Bonds

About cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride

cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride (PubChem CID 160913737) has the molecular formula C20H18Cl2Zr-2 and a molecular weight of 420.49 g/mol. Its IUPAC name is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride
PubChem CID160913737
Molecular FormulaC20H18Cl2Zr-2
Molecular Weight420.49 g/mol
Exact Mass417.98
IUPAC Namecyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride
SMILESCC=[Zr+2].[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1
InChIInChI=1S/C13H9.C5H5.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-2;;;/h1-5,7-8H,9H2;1-5H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNMBJKMHGOXAQAP-UHFFFAOYSA-L
XLogP-1.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 5-1.17
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

CID 159626377
CID 159626377
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenehafnium(2+);dichloride
CID 161299506
bis(1,9-dihydrofluoren-1-ide);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
cyclopenta-1,3-diene;3,3-dichloro-2,4-dimethylpentane;1,9-dihydrofluoren-1-ide;hafnium
CID 159440234
CID 154493054
CID 154493054
bis(1,9-dihydrofluoren-1-ide);ethane;titanium(4+)
CID 19698863
1,9-dihydrofluoren-1-ide;titanium(4+);trifluoride
CID 173097726
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
CID 87137061

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride (CID 160913737) is cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride is CC=[Zr+2].[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride?
The InChIKey is NMBJKMHGOXAQAP-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.C2H4.2ClH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-2;;;/h1-5,7-8H,9H2;1-5H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride?
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride has a molecular weight of 420.49 g/mol, XLogP of -1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride is sourced from PubChem (CID 160913737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).