bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride

C50H70Cl2Hf2Si2 — CID 173134555

IUPACbis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.C[Si](=[Hf+2])c1ccccc1.C[Si](=[Hf+2])c1ccccc1.Cl.Cl
InChIInChI=1S/4C9H13.2C7H8Si.2ClH.2Hf/c4*1-6-5-7(2)9(4)8(6)3;2*1-8-7-5-3-2-4-6-7;;;;/h4*6H,1-4H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeySQJDZJRCIGSYNA-UHFFFAOYSA-N
MW1155.17 g/mol
LogP13.85
Rot. Bonds2

About bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride

bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride (PubChem CID 173134555) has the molecular formula C50H70Cl2Hf2Si2 and a molecular weight of 1155.17 g/mol. Its IUPAC name is bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride.

Molecular Properties

Compound Namebis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
PubChem CID173134555
Molecular FormulaC50H70Cl2Hf2Si2
Molecular Weight1155.17 g/mol
Exact Mass1156.33
IUPAC Namebis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.C[Si](=[Hf+2])c1ccccc1.C[Si](=[Hf+2])c1ccccc1.Cl.Cl
InChIInChI=1S/4C9H13.2C7H8Si.2ClH.2Hf/c4*1-6-5-7(2)9(4)8(6)3;2*1-8-7-5-3-2-4-6-7;;;;/h4*6H,1-4H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeySQJDZJRCIGSYNA-UHFFFAOYSA-N
XLogP13.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001155.17
LogP ≤ 513.85
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 bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?
The IUPAC name of bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride (CID 173134555) is bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride.
What is the SMILES notation for bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?
The canonical SMILES for bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride is CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.CC1=[C-]C(C)C(C)=C1C.C[Si](=[Hf+2])c1ccccc1.C[Si](=[Hf+2])c1ccccc1.Cl.Cl.
What is the InChIKey of bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?
The InChIKey is SQJDZJRCIGSYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H13.2C7H8Si.2ClH.2Hf/c4*1-6-5-7(2)9(4)8(6)3;2*1-8-7-5-3-2-4-6-7;;;;/h4*6H,1-4H3;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride?
bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride has a molecular weight of 1155.17 g/mol, XLogP of 13.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis([methyl(phenyl)silylidene]hafnium(2+));tetrakis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride is sourced from PubChem (CID 173134555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).