1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride

C19H18Cl2NSiZr — CID 173246325

IUPAC1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride
SMILESCC1=NC2=CC=C3C2=C1[Si]3(C)C.[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H11NSi.C9H7.2ClH.Zr/c1-6-10-9-7(11-6)4-5-8(9)12(10,2)3;1-2-5-9-7-3-6-8(9)4-1;;;/h4-5H,1-3H3;1-7H;2*1H;/q;-1;;;+3/p-2
InChIKeyGYLZTQSAQZQOCW-UHFFFAOYSA-L
MW450.58 g/mol
LogP-1.05
Rot. Bonds

About 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride

1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride (PubChem CID 173246325) has the molecular formula C19H18Cl2NSiZr and a molecular weight of 450.58 g/mol. Its IUPAC name is 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride.

Molecular Properties

Compound Name1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride
PubChem CID173246325
Molecular FormulaC19H18Cl2NSiZr
Molecular Weight450.58 g/mol
Exact Mass447.96
IUPAC Name1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride
SMILESCC1=NC2=CC=C3C2=C1[Si]3(C)C.[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]ccc2c1
InChIInChI=1S/C10H11NSi.C9H7.2ClH.Zr/c1-6-10-9-7(11-6)4-5-8(9)12(10,2)3;1-2-5-9-7-3-6-8(9)4-1;;;/h4-5H,1-3H3;1-7H;2*1H;/q;-1;;;+3/p-2
InChIKeyGYLZTQSAQZQOCW-UHFFFAOYSA-L
XLogP-1.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
The IUPAC name of 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride (CID 173246325) is 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride.
What is the SMILES notation for 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
The canonical SMILES for 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride is CC1=NC2=CC=C3C2=C1[Si]3(C)C.[Cl-].[Cl-].[Zr+3].c1ccc2[cH-]ccc2c1.
What is the InChIKey of 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
The InChIKey is GYLZTQSAQZQOCW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H11NSi.C9H7.2ClH.Zr/c1-6-10-9-7(11-6)4-5-8(9)12(10,2)3;1-2-5-9-7-3-6-8(9)4-1;;;/h4-5H,1-3H3;1-7H;2*1H;/q;-1;;;+3/p-2.
What are the key properties of 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride?
1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride has a molecular weight of 450.58 g/mol, XLogP of -1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-inden-1-ide;2,2,4-trimethyl-5-aza-2-silatricyclo[4.2.1.03,9]nona-1(8),3(9),4,6-tetraene;zirconium(3+);dichloride is sourced from PubChem (CID 173246325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).