cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)

C19H18Hf-2 — CID 173138185

IUPACcyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
SMILESC=[Hf+2].[C-]1=CC=CC1.[H-].[H-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.CH2.Hf.2H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-9H;1-3H,4H2;1H2;;;/q2*-1;;+2;2*-1
InChIKeyPXALRQAXQPTJJR-UHFFFAOYSA-N
MW424.84 g/mol
LogP5.21
Rot. Bonds

About cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)

cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+) (PubChem CID 173138185) has the molecular formula C19H18Hf-2 and a molecular weight of 424.84 g/mol. Its IUPAC name is cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
PubChem CID173138185
Molecular FormulaC19H18Hf-2
Molecular Weight424.84 g/mol
Exact Mass426.09
IUPAC Namecyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)
SMILESC=[Hf+2].[C-]1=CC=CC1.[H-].[H-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C5H5.CH2.Hf.2H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-9H;1-3H,4H2;1H2;;;/q2*-1;;+2;2*-1
InChIKeyPXALRQAXQPTJJR-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.84
LogP ≤ 55.21
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;methylidenezirconium(2+);dichloride
CID 87327978
cyclopenta-1,3-diene;9H-fluoren-9-ide;titanium(4+);dichloride
CID 87101437
cyclopenta-1,3-diene;9H-fluoren-9-ide;propan-2-ylidenehafnium(2+);dichloride
CID 87337244
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
cyclohexylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;dichloride
CID 87137180
cyclopenta-1,3-diene;diethylsilylidenezirconium(2+);9H-fluoren-9-ide
CID 173379848
cyclopenta-1,3-diene;di(propan-2-ylidene)hafnium;9H-fluoren-9-ide
CID 173322687
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
CID 22461419
cyclopenta-1,3-diene;di(propan-2-ylidene)zirconium;9H-fluoren-9-ide
CID 173276833
benzhydrylidenezirconium(2+);cyclopenta-1,3-diene;9H-fluoren-9-ide;chloride
CID 23363370
CID 173031425
CID 173031425

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)?
The IUPAC name of cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+) (CID 173138185) is cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+) is C=[Hf+2].[C-]1=CC=CC1.[H-].[H-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)?
The InChIKey is PXALRQAXQPTJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C5H5.CH2.Hf.2H/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-4-5-3-1;;;;/h1-9H;1-3H,4H2;1H2;;;/q2*-1;;+2;2*-1.
What are the key properties of cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+)?
cyclopenta-1,3-diene;9H-fluoren-9-ide;hydride;methylidenehafnium(2+) has a molecular weight of 424.84 g/mol, XLogP of 5.21, 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;hydride;methylidenehafnium(2+) is sourced from PubChem (CID 173138185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).