dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)

C24H19AlCl2Hf-2 — CID 87675778

IUPACdichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)
SMILESCl[Hf](Cl)=[Al]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H5.Al.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;/h2*1-7H;1-5H;;2*1H;/q2*-1;;;;;+2/p-2
InChIKeyKWQVRRFFEMQJRL-UHFFFAOYSA-L
MW583.79 g/mol
LogP6.97
Rot. Bonds1

About dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)

dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide) (PubChem CID 87675778) has the molecular formula C24H19AlCl2Hf-2 and a molecular weight of 583.79 g/mol. Its IUPAC name is dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)
PubChem CID87675778
Molecular FormulaC24H19AlCl2Hf-2
Molecular Weight583.79 g/mol
Exact Mass584.02
IUPAC Namedichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)
SMILESCl[Hf](Cl)=[Al]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.C6H5.Al.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;/h2*1-7H;1-5H;;2*1H;/q2*-1;;;;;+2/p-2
InChIKeyKWQVRRFFEMQJRL-UHFFFAOYSA-L
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.79
LogP ≤ 56.97
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

dichloro(phenylalumanylidene)hafnium
CID 87675779
1H-inden-1-ide;titanium;dihydrochloride
CID 87738152
1H-inden-1-ide;titanium(3+);difluoride
CID 87792956
1H-inden-1-ide;zirconium(4+);trichloride
CID 71421360
magnesium;1H-inden-1-ide;bromide
CID 12823996
benzhydrylidenehafnium(2+);bis(1H-inden-1-ide);dichloride
CID 18358747
carbanide;1H-inden-1-ide;titanium(3+);trichloride
CID 157275442
azanide;1H-inden-1-ide;titanium(4+);dichloride
CID 175964725
dichloro(diphenylsilylidene)hafnium;bis(1H-inden-1-ide)
CID 173133889
chloromethane;ethane;bis(1H-inden-1-ide);zirconium(4+)
CID 172681800
dibromozirconium;1H-inden-1-ide
CID 173211982
formaldehyde;1H-inden-1-ide;iron(2+);iodide
CID 173072656

Frequently Asked Questions

What is the IUPAC name of dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)?
The IUPAC name of dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide) (CID 87675778) is dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide).
What is the SMILES notation for dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)?
The canonical SMILES for dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide) is Cl[Hf](Cl)=[Al]c1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)?
The InChIKey is KWQVRRFFEMQJRL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7.C6H5.Al.2ClH.Hf/c2*1-2-5-9-7-3-6-8(9)4-1;1-2-4-6-5-3-1;;;;/h2*1-7H;1-5H;;2*1H;/q2*-1;;;;;+2/p-2.
What are the key properties of dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide)?
dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide) has a molecular weight of 583.79 g/mol, XLogP of 6.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(phenylalumanylidene)hafnium;bis(1H-inden-1-ide) is sourced from PubChem (CID 87675778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).