dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)

C28H22Cl2Zr-2 — CID 87137061

IUPACdichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
SMILESCC=[Zr](Cl)Cl.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
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*1-5,7-8H,9H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCTZQPHYMUBIFLW-UHFFFAOYSA-L
MW520.61 g/mol
LogP7.85
Rot. Bonds

About dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)

dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide) (PubChem CID 87137061) has the molecular formula C28H22Cl2Zr-2 and a molecular weight of 520.61 g/mol. Its IUPAC name is dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide).

Molecular Properties

Compound Namedichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
PubChem CID87137061
Molecular FormulaC28H22Cl2Zr-2
Molecular Weight520.61 g/mol
Exact Mass518.02
IUPAC Namedichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
SMILESCC=[Zr](Cl)Cl.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
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*1-5,7-8H,9H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCTZQPHYMUBIFLW-UHFFFAOYSA-L
XLogP7.85
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 ≤ 57.85
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

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);zirconium(3+);trichloride
CID 157229521
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
CID 173274804
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
CID 22027323
CID 154493054
CID 154493054
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;ethylidenezirconium(2+);dichloride
CID 160913737
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
bis(1,9-dihydrofluoren-1-ide);1-phenylethylidenehafnium(2+)
CID 163641961

Frequently Asked Questions

What is the IUPAC name of dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)?
The IUPAC name of dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide) (CID 87137061) is dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide).
What is the SMILES notation for dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)?
The canonical SMILES for dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide) is CC=[Zr](Cl)Cl.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)?
The InChIKey is CTZQPHYMUBIFLW-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*1-5,7-8H,9H2;1H,2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)?
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide) has a molecular weight of 520.61 g/mol, XLogP of 7.85, 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(1,9-dihydrofluoren-1-ide) is sourced from PubChem (CID 87137061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).