bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride

C32H28Cl2SiZr-2 — CID 87775308

IUPACbis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
SMILESCc1cccc([Si](=[Zr+2])c2cccc(C)c2)c1.[C-]1=CC=CC1.[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H14Si.C13H9.C5H5.2ClH.Zr/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;/h3-10H,1-2H3;1-5,7-8H,9H2;1-3H,4H2;2*1H;/q;2*-1;;;+2/p-2
InChIKeyNUIPZBWGRDXFGA-UHFFFAOYSA-L
MW602.79 g/mol
LogP0.33
Rot. Bonds2

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

bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride (PubChem CID 87775308) has the molecular formula C32H28Cl2SiZr-2 and a molecular weight of 602.79 g/mol. Its IUPAC name is bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride.

Molecular Properties

Compound Namebis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
PubChem CID87775308
Molecular FormulaC32H28Cl2SiZr-2
Molecular Weight602.79 g/mol
Exact Mass600.04
IUPAC Namebis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride
SMILESCc1cccc([Si](=[Zr+2])c2cccc(C)c2)c1.[C-]1=CC=CC1.[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C14H14Si.C13H9.C5H5.2ClH.Zr/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;/h3-10H,1-2H3;1-5,7-8H,9H2;1-3H,4H2;2*1H;/q;2*-1;;;+2/p-2
InChIKeyNUIPZBWGRDXFGA-UHFFFAOYSA-L
XLogP0.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.79
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;propan-2-ylidenezirconium(2+);chloride
CID 18316822
bis(cyclopenta-1,3-diene);bis(1,9-dihydrofluoren-1-ide);bis(propan-2-ylidenezirconium(2+));dichloride
CID 21253595
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium;dihydrochloride
CID 87101265
dilithium;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide
CID 19418222
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;titanium(2+)
CID 23102965
CID 173313985
CID 173313985
cyclopenta-1,3-diene;dicyclopentylsilylidenezirconium(2+);1,9-dihydrofluoren-1-ide;dichloride
CID 87775485
CID 173302368
CID 173302368
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;methylidenetitanium
CID 21256054
cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;hydride;propan-2-ylidenezirconium
CID 173267556
carbanide;cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;disilylidenezirconium;dihydrochloride
CID 173081380
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;difluoride
CID 22323902

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
The IUPAC name of bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride (CID 87775308) is bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride.
What is the SMILES notation for bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
The canonical SMILES for bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride is Cc1cccc([Si](=[Zr+2])c2cccc(C)c2)c1.[C-]1=CC=CC1.[Cl-].[Cl-].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
The InChIKey is NUIPZBWGRDXFGA-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H14Si.C13H9.C5H5.2ClH.Zr/c1-11-5-3-7-13(9-11)15-14-8-4-6-12(2)10-14;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;/h3-10H,1-2H3;1-5,7-8H,9H2;1-3H,4H2;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride?
bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride has a molecular weight of 602.79 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenyl)silylidenezirconium(2+);cyclopenta-1,3-diene;1,9-dihydrofluoren-1-ide;dichloride is sourced from PubChem (CID 87775308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).