bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride

C36H34Cl4HfSi-2 — CID 159431385

IUPACbis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride
SMILESCC1=[C-]C2=CC=CCC(c3ccc(Cl)cc3)C2=C1.CC1=[C-]C2=CC=CCC(c3ccc(Cl)cc3)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C17H14Cl.C2H6Si.2ClH.Hf/c2*1-12-10-14-4-2-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;1-3-2;;;/h2*2-4,6-9,11,16H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXGMIICKYSLQSAM-UHFFFAOYSA-L
MW815.06 g/mol
LogP4.79
Rot. Bonds2

About bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride

bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride (PubChem CID 159431385) has the molecular formula C36H34Cl4HfSi-2 and a molecular weight of 815.06 g/mol. Its IUPAC name is bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride.

Molecular Properties

Compound Namebis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride
PubChem CID159431385
Molecular FormulaC36H34Cl4HfSi-2
Molecular Weight815.06 g/mol
Exact Mass814.07
IUPAC Namebis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride
SMILESCC1=[C-]C2=CC=CCC(c3ccc(Cl)cc3)C2=C1.CC1=[C-]C2=CC=CCC(c3ccc(Cl)cc3)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-]
InChIInChI=1S/2C17H14Cl.C2H6Si.2ClH.Hf/c2*1-12-10-14-4-2-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;1-3-2;;;/h2*2-4,6-9,11,16H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyXGMIICKYSLQSAM-UHFFFAOYSA-L
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500815.06
LogP ≤ 54.79
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride?
The IUPAC name of bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride (CID 159431385) is bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride.
What is the SMILES notation for bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride?
The canonical SMILES for bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride is CC1=[C-]C2=CC=CCC(c3ccc(Cl)cc3)C2=C1.CC1=[C-]C2=CC=CCC(c3ccc(Cl)cc3)C2=C1.C[Si](C)=[Hf+2].[Cl-].[Cl-].
What is the InChIKey of bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride?
The InChIKey is XGMIICKYSLQSAM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H14Cl.C2H6Si.2ClH.Hf/c2*1-12-10-14-4-2-3-5-16(17(14)11-12)13-6-8-15(18)9-7-13;1-3-2;;;/h2*2-4,6-9,11,16H,5H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride?
bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride has a molecular weight of 815.06 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-(4-chlorophenyl)-2-methyl-4,5-dihydro-1H-azulen-1-ide);dimethylsilylidenehafnium(2+);dichloride is sourced from PubChem (CID 159431385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).