aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride

C24H21Cl2HfN — CID 22461419

IUPACaniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
SMILESNc1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H7N.C5H5.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-6-4-2-1-3-5-6;1-2-4-5-3-1;;;/h1-9H;1-5H,7H2;1-3H,4H2;2*1H;/q-1;;-1;;;+4/p-2
InChIKeyPOXQCONAQLUEJL-UHFFFAOYSA-L
MW572.84 g/mol
LogP0.29
Rot. Bonds

About aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride

aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride (PubChem CID 22461419) has the molecular formula C24H21Cl2HfN and a molecular weight of 572.84 g/mol. Its IUPAC name is aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride.

Molecular Properties

Compound Nameaniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
PubChem CID22461419
Molecular FormulaC24H21Cl2HfN
Molecular Weight572.84 g/mol
Exact Mass573.05
IUPAC Nameaniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride
SMILESNc1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C6H7N.C5H5.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-6-4-2-1-3-5-6;1-2-4-5-3-1;;;/h1-9H;1-5H,7H2;1-3H,4H2;2*1H;/q-1;;-1;;;+4/p-2
InChIKeyPOXQCONAQLUEJL-UHFFFAOYSA-L
XLogP0.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.84
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride?
The IUPAC name of aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride (CID 22461419) is aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride.
What is the SMILES notation for aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride?
The canonical SMILES for aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride is Nc1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride?
The InChIKey is POXQCONAQLUEJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C6H7N.C5H5.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;7-6-4-2-1-3-5-6;1-2-4-5-3-1;;;/h1-9H;1-5H,7H2;1-3H,4H2;2*1H;/q-1;;-1;;;+4/p-2.
What are the key properties of aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride?
aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride has a molecular weight of 572.84 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;cyclopenta-1,3-diene;9H-fluoren-9-ide;hafnium(4+);dichloride is sourced from PubChem (CID 22461419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).