dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride

C54H48Cl2HfSi-2 — CID 162024056

IUPACdimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride
SMILESCCC1=[C-]C2=CC=CCC(c3c4ccccc4cc4ccccc34)C2=C1.CCC1=[C-]C2=CC=CCC(c3c4ccccc4cc4ccccc34)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C26H21.C2H6Si.2ClH.Hf/c2*1-2-18-15-19-9-5-8-14-24(25(19)16-18)26-22-12-6-3-10-20(22)17-21-11-4-7-13-23(21)26;1-3-2;;;/h2*3-13,16-17,24H,2,14H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUWRNLMFPLGCWGD-UHFFFAOYSA-L
MW974.46 g/mol
LogP8.88
Rot. Bonds4

About dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride

dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride (PubChem CID 162024056) has the molecular formula C54H48Cl2HfSi-2 and a molecular weight of 974.46 g/mol. Its IUPAC name is dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride.

Molecular Properties

Compound Namedimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride
PubChem CID162024056
Molecular FormulaC54H48Cl2HfSi-2
Molecular Weight974.46 g/mol
Exact Mass974.24
IUPAC Namedimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride
SMILESCCC1=[C-]C2=CC=CCC(c3c4ccccc4cc4ccccc34)C2=C1.CCC1=[C-]C2=CC=CCC(c3c4ccccc4cc4ccccc34)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C26H21.C2H6Si.2ClH.Hf/c2*1-2-18-15-19-9-5-8-14-24(25(19)16-18)26-22-12-6-3-10-20(22)17-21-11-4-7-13-23(21)26;1-3-2;;;/h2*3-13,16-17,24H,2,14H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyUWRNLMFPLGCWGD-UHFFFAOYSA-L
XLogP8.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.46
LogP ≤ 58.88
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride?
The IUPAC name of dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride (CID 162024056) is dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride.
What is the SMILES notation for dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride?
The canonical SMILES for dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride is CCC1=[C-]C2=CC=CCC(c3c4ccccc4cc4ccccc34)C2=C1.CCC1=[C-]C2=CC=CCC(c3c4ccccc4cc4ccccc34)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride?
The InChIKey is UWRNLMFPLGCWGD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C26H21.C2H6Si.2ClH.Hf/c2*1-2-18-15-19-9-5-8-14-24(25(19)16-18)26-22-12-6-3-10-20(22)17-21-11-4-7-13-23(21)26;1-3-2;;;/h2*3-13,16-17,24H,2,14H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride?
dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride has a molecular weight of 974.46 g/mol, XLogP of 8.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenehafnium(2+);bis(9-(2-ethyl-4,5-dihydro-1H-azulen-1-id-4-yl)anthracene);dichloride is sourced from PubChem (CID 162024056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).