benzene;cyclopenta-1,3-diene;hafnium(4+)

C23H20Hf — CID 140983733

IUPACbenzene;cyclopenta-1,3-diene;hafnium(4+)
SMILES[Hf+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1cc[cH-]c1
InChIInChI=1S/3C6H5.C5H5.Hf/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;/h3*1-5H;1-5H;/q4*-1;+4
InChIKeySCLTYVKMKJFLBT-UHFFFAOYSA-N
MW474.90 g/mol
LogP5.86
Rot. Bonds

About benzene;cyclopenta-1,3-diene;hafnium(4+)

benzene;cyclopenta-1,3-diene;hafnium(4+) (PubChem CID 140983733) has the molecular formula C23H20Hf and a molecular weight of 474.90 g/mol. Its IUPAC name is benzene;cyclopenta-1,3-diene;hafnium(4+).

Molecular Properties

Compound Namebenzene;cyclopenta-1,3-diene;hafnium(4+)
PubChem CID140983733
Molecular FormulaC23H20Hf
Molecular Weight474.90 g/mol
Exact Mass476.10
IUPAC Namebenzene;cyclopenta-1,3-diene;hafnium(4+)
SMILES[Hf+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1cc[cH-]c1
InChIInChI=1S/3C6H5.C5H5.Hf/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;/h3*1-5H;1-5H;/q4*-1;+4
InChIKeySCLTYVKMKJFLBT-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.90
LogP ≤ 55.86
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

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Frequently Asked Questions

What is the IUPAC name of benzene;cyclopenta-1,3-diene;hafnium(4+)?
The IUPAC name of benzene;cyclopenta-1,3-diene;hafnium(4+) (CID 140983733) is benzene;cyclopenta-1,3-diene;hafnium(4+).
What is the SMILES notation for benzene;cyclopenta-1,3-diene;hafnium(4+)?
The canonical SMILES for benzene;cyclopenta-1,3-diene;hafnium(4+) is [Hf+4].[c-]1ccccc1.[c-]1ccccc1.[c-]1ccccc1.c1cc[cH-]c1.
What is the InChIKey of benzene;cyclopenta-1,3-diene;hafnium(4+)?
The InChIKey is SCLTYVKMKJFLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H5.C5H5.Hf/c3*1-2-4-6-5-3-1;1-2-4-5-3-1;/h3*1-5H;1-5H;/q4*-1;+4.
What are the key properties of benzene;cyclopenta-1,3-diene;hafnium(4+)?
benzene;cyclopenta-1,3-diene;hafnium(4+) has a molecular weight of 474.90 g/mol, XLogP of 5.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclopenta-1,3-diene;hafnium(4+) is sourced from PubChem (CID 140983733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).