methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride

C25H33Cl2SiZr-3 — CID 173133656

IUPACmethanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride
SMILESCl.Cl.[CH2-]c1ccccc1.[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.C7H7.2ClH.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;;;;/h2*3,6-7H,1-2,4-5H2;2-6H,1H2;2*1H;1H2;/q3*-1;;;;
InChIKeyFMSSWCXSOPUPKQ-UHFFFAOYSA-N
MW523.76 g/mol
LogP6.36
Rot. Bonds

About methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride

methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride (PubChem CID 173133656) has the molecular formula C25H33Cl2SiZr-3 and a molecular weight of 523.76 g/mol. Its IUPAC name is methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride.

Molecular Properties

Compound Namemethanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride
PubChem CID173133656
Molecular FormulaC25H33Cl2SiZr-3
Molecular Weight523.76 g/mol
Exact Mass521.08
IUPAC Namemethanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride
SMILESCl.Cl.[CH2-]c1ccccc1.[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2
InChIInChI=1S/2C9H11.C7H7.2ClH.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;;;;/h2*3,6-7H,1-2,4-5H2;2-6H,1H2;2*1H;1H2;/q3*-1;;;;
InChIKeyFMSSWCXSOPUPKQ-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.76
LogP ≤ 56.36
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 methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride?
The IUPAC name of methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride (CID 173133656) is methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride.
What is the SMILES notation for methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride?
The canonical SMILES for methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride is Cl.Cl.[CH2-]c1ccccc1.[SiH2]=[Zr].c1cc2c([cH-]1)CCCC2.c1cc2c([cH-]1)CCCC2.
What is the InChIKey of methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride?
The InChIKey is FMSSWCXSOPUPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11.C7H7.2ClH.H2Si.Zr/c2*1-2-5-9-7-3-6-8(9)4-1;1-7-5-3-2-4-6-7;;;;/h2*3,6-7H,1-2,4-5H2;2-6H,1H2;2*1H;1H2;/q3*-1;;;;.
What are the key properties of methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride?
methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride has a molecular weight of 523.76 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methanidylbenzene;silylidenezirconium;bis(4,5,6,7-tetrahydro-1H-inden-1-ide);dihydrochloride is sourced from PubChem (CID 173133656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).