dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)

C28H22Cl2Zr-2 — CID 87673225

IUPACdichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
SMILESCC=[Zr](Cl)Cl.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H4.2ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;;;/h2*1-9H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKADOUEBOZCPLMB-UHFFFAOYSA-L
MW520.61 g/mol
LogP9.16
Rot. Bonds

About dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)

dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide) (PubChem CID 87673225) has the molecular formula C28H22Cl2Zr-2 and a molecular weight of 520.61 g/mol. Its IUPAC name is dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide).

Molecular Properties

Compound Namedichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
PubChem CID87673225
Molecular FormulaC28H22Cl2Zr-2
Molecular Weight520.61 g/mol
Exact Mass518.02
IUPAC Namedichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)
SMILESCC=[Zr](Cl)Cl.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/2C13H9.C2H4.2ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;;;/h2*1-9H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyKADOUEBOZCPLMB-UHFFFAOYSA-L
XLogP9.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.61
LogP ≤ 59.16
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

dichloro(ethylidene)zirconium;9H-fluoren-9-ide;2-(3H-inden-3-id-1-yl)ethanol
CID 87993746
ethane;bis(9H-fluoren-9-ide);zirconium(2+)
CID 23215639
dichloro(ethylidene)zirconium;9H-fluoren-9-ide;3H-inden-3-id-1-yloxymethoxy(trimethyl)silane
CID 87936229
CID 173225769
CID 173225769
CID 173104995
CID 173104995
dichloro(ethylidene)zirconium;bis(2-ethyl-4-phenyl-1H-inden-1-ide)
CID 87216524
dichloro(propan-2-ylidene)zirconium;9H-fluoren-9-ide;5-propylcyclopenta-1,3-diene
CID 174349526
dichlorozirconium(2+);9H-fluoren-9-ide;1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 169048347
cyclopenta-1,3-diene;dichloro(dimethylsilylidene)hafnium;9H-fluoren-9-ide
CID 174047741
[chloro(methyl)silylidene]zirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 160548859
cyclopenta-1,3-diene;dichloro(methylidene)hafnium;9H-fluoren-9-ide
CID 174047756
bis(4-chlorophenol);bis(9H-fluoren-9-ide);zirconium(2+)
CID 87775583

Frequently Asked Questions

What is the IUPAC name of dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)?
The IUPAC name of dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide) (CID 87673225) is dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide).
What is the SMILES notation for dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)?
The canonical SMILES for dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide) is CC=[Zr](Cl)Cl.c1ccc2c(c1)[cH-]c1ccccc12.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)?
The InChIKey is KADOUEBOZCPLMB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.C2H4.2ClH.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2;;;/h2*1-9H;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide)?
dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide) has a molecular weight of 520.61 g/mol, XLogP of 9.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(ethylidene)zirconium;bis(9H-fluoren-9-ide) is sourced from PubChem (CID 87673225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).