dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride

C38H40Cl2HfSi-2 — CID 87992397

IUPACdimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride
SMILESCCc1cc2c([cH-]1)C=CC=CC2c1ccccc1.CCc1cc2c([cH-]1)C=CC=CC2c1ccccc1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C18H17.C2H6Si.2ClH.Hf/c2*1-2-14-12-16-10-6-7-11-17(18(16)13-14)15-8-4-3-5-9-15;1-3-2;;;/h2*3-13,17H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOLZGGSLSARKBGB-UHFFFAOYSA-L
MW774.22 g/mol
LogP4.16
Rot. Bonds4

About dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride

dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride (PubChem CID 87992397) has the molecular formula C38H40Cl2HfSi-2 and a molecular weight of 774.22 g/mol. Its IUPAC name is dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride.

Molecular Properties

Compound Namedimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride
PubChem CID87992397
Molecular FormulaC38H40Cl2HfSi-2
Molecular Weight774.22 g/mol
Exact Mass774.18
IUPAC Namedimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride
SMILESCCc1cc2c([cH-]1)C=CC=CC2c1ccccc1.CCc1cc2c([cH-]1)C=CC=CC2c1ccccc1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C18H17.C2H6Si.2ClH.Hf/c2*1-2-14-12-16-10-6-7-11-17(18(16)13-14)15-8-4-3-5-9-15;1-3-2;;;/h2*3-13,17H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOLZGGSLSARKBGB-UHFFFAOYSA-L
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500774.22
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride?
The IUPAC name of dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride (CID 87992397) is dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride.
What is the SMILES notation for dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride?
The canonical SMILES for dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride is CCc1cc2c([cH-]1)C=CC=CC2c1ccccc1.CCc1cc2c([cH-]1)C=CC=CC2c1ccccc1.C[Si](C)=[Hf+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride?
The InChIKey is OLZGGSLSARKBGB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H17.C2H6Si.2ClH.Hf/c2*1-2-14-12-16-10-6-7-11-17(18(16)13-14)15-8-4-3-5-9-15;1-3-2;;;/h2*3-13,17H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride?
dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride has a molecular weight of 774.22 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenehafnium(2+);bis(2-ethyl-4-phenyl-1,4-dihydroazulen-1-ide);dichloride is sourced from PubChem (CID 87992397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).