cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide

C24H26Zr-2 — CID 173276833

IUPACcyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
SMILESCC(C)=[Zr]=C(C)C.[C-]1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.2C3H6.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-3-2;/h1-9H;1-3H,4H2;2*1-2H3;/q2*-1;;;
InChIKeyUPOWADBYVNDRTE-UHFFFAOYSA-N
MW405.70 g/mol
LogP6.51
Rot. Bonds

About cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide

cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide (PubChem CID 173276833) has the molecular formula C24H26Zr-2 and a molecular weight of 405.70 g/mol. Its IUPAC name is cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
PubChem CID173276833
Molecular FormulaC24H26Zr-2
Molecular Weight405.70 g/mol
Exact Mass404.11
IUPAC Namecyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
SMILESCC(C)=[Zr]=C(C)C.[C-]1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.2C3H6.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-3-2;/h1-9H;1-3H,4H2;2*1-2H3;/q2*-1;;;
InChIKeyUPOWADBYVNDRTE-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.70
LogP ≤ 56.51
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;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
cyclopenta-1,3-diene;di(propan-2-ylidene)hafnium;9H-fluoren-9-ide
CID 173322687
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;9H-fluoren-9-ide;propane;titanium(3+)
CID 173221097
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;1-phenylethylidenezirconium(2+);dihydrochloride
CID 87902194
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
CID 87936014
CID 87936014
cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
CID 173379848
bis(cyclopenta-1,3-diene);di(propan-2-ylidene)zirconium;dihydrochloride
CID 87835722

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide?
The IUPAC name of cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide (CID 173276833) is cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide.
What is the SMILES notation for cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide?
The canonical SMILES for cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide is CC(C)=[Zr]=C(C)C.[C-]1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide?
The InChIKey is UPOWADBYVNDRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.2C3H6.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;2*1-3-2;/h1-9H;1-3H,4H2;2*1-2H3;/q2*-1;;;.
What are the key properties of cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide?
cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide has a molecular weight of 405.70 g/mol, XLogP of 6.51, 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;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide is sourced from PubChem (CID 173276833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).