cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride

C21H20Cl2Hf-2 — CID 87337244

IUPACcyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
SMILESCC(C)=[Hf+2].[C-]1=CC=CC1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C3H6.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYBAUCHIZHKXGIC-UHFFFAOYSA-L
MW521.79 g/mol
LogP-0.23
Rot. Bonds

About cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride

cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride (PubChem CID 87337244) has the molecular formula C21H20Cl2Hf-2 and a molecular weight of 521.79 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
PubChem CID87337244
Molecular FormulaC21H20Cl2Hf-2
Molecular Weight521.79 g/mol
Exact Mass522.04
IUPAC Namecyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
SMILESCC(C)=[Hf+2].[C-]1=CC=CC1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.C3H6.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyYBAUCHIZHKXGIC-UHFFFAOYSA-L
XLogP-0.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.79
LogP ≤ 5-0.23
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

cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;di(propan-2-ylidene)hafnium;9H-fluoren-9-ide
CID 173322687
cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
CID 173276833
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;zirconium(2+);dichloride
CID 86749727
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
CID 173138185
cyclopenta-1,3-diene;9H-fluoren-9-ide;methylidenezirconium(2+);dichloride
CID 87327978
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
CID 173221097
cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
CID 173379848
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
cyclopenta-1,3-diene;9H-fluoren-9-ide;1-phenylethylidenezirconium(2+);dihydrochloride
CID 87902194
bis(cyclopenta-1,3-diene);bis(diphenylsilylidenezirconium(2+));bis(9H-fluoren-9-ide);dichloride
CID 18407437
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
CID 22461419

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride?
The IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride (CID 87337244) is cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride?
The canonical SMILES for cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride is CC(C)=[Hf+2].[C-]1=CC=CC1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride?
The InChIKey is YBAUCHIZHKXGIC-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C5H5.C3H6.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;1-3-2;;;/h1-9H;1-3H,4H2;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride?
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride has a molecular weight of 521.79 g/mol, XLogP of -0.23, 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;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride is sourced from PubChem (CID 87337244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).