tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride

C50H46Cl2Hf2Si2 — CID 173134139

IUPACtetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride
SMILESC[Si](=[Hf+2])c1ccccc1.C[Si](=[Hf+2])c1ccccc1.Cl.Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C7H8Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;;;;/h4*1-7H;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyZGAXEMACPPFNFY-UHFFFAOYSA-N
MW1130.98 g/mol
LogP13.20
Rot. Bonds2

About tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride

tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride (PubChem CID 173134139) has the molecular formula C50H46Cl2Hf2Si2 and a molecular weight of 1130.98 g/mol. Its IUPAC name is tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride.

Molecular Properties

Compound Nametetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride
PubChem CID173134139
Molecular FormulaC50H46Cl2Hf2Si2
Molecular Weight1130.98 g/mol
Exact Mass1132.14
IUPAC Nametetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride
SMILESC[Si](=[Hf+2])c1ccccc1.C[Si](=[Hf+2])c1ccccc1.Cl.Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C7H8Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;;;;/h4*1-7H;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2
InChIKeyZGAXEMACPPFNFY-UHFFFAOYSA-N
XLogP13.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001130.98
LogP ≤ 513.20
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 tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride?
The IUPAC name of tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride (CID 173134139) is tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride.
What is the SMILES notation for tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride?
The canonical SMILES for tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride is C[Si](=[Hf+2])c1ccccc1.C[Si](=[Hf+2])c1ccccc1.Cl.Cl.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride?
The InChIKey is ZGAXEMACPPFNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H7.2C7H8Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-8-7-5-3-2-4-6-7;;;;/h4*1-7H;2*2-6H,1H3;2*1H;;/q4*-1;;;;;2*+2.
What are the key properties of tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride?
tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride has a molecular weight of 1130.98 g/mol, XLogP of 13.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1H-inden-1-ide);bis([methyl(phenyl)silylidene]hafnium(2+));dihydrochloride is sourced from PubChem (CID 173134139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).