bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride

C34H36Cl2N2Si2Zr2 — CID 18938344

IUPACbis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride
SMILESC[Si](C)(C)c1cc2c(-c3ccccn3)cccc2[cH-]1.C[Si](C)(C)c1cc2c(-c3ccccn3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C17H18NSi.2ClH.2Zr/c2*1-19(2,3)14-11-13-7-6-8-15(16(13)12-14)17-9-4-5-10-18-17;;;;/h2*4-12H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyZRIADXBXAMBFGV-UHFFFAOYSA-L
MW782.20 g/mol
LogP2.33
Rot. Bonds4

About bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride

bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride (PubChem CID 18938344) has the molecular formula C34H36Cl2N2Si2Zr2 and a molecular weight of 782.20 g/mol. Its IUPAC name is bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Namebis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride
PubChem CID18938344
Molecular FormulaC34H36Cl2N2Si2Zr2
Molecular Weight782.20 g/mol
Exact Mass777.99
IUPAC Namebis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride
SMILESC[Si](C)(C)c1cc2c(-c3ccccn3)cccc2[cH-]1.C[Si](C)(C)c1cc2c(-c3ccccn3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C17H18NSi.2ClH.2Zr/c2*1-19(2,3)14-11-13-7-6-8-15(16(13)12-14)17-9-4-5-10-18-17;;;;/h2*4-12H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyZRIADXBXAMBFGV-UHFFFAOYSA-L
XLogP2.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500782.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethylsilylidenezirconium(2+);bis(trimethyl-(4-phenyl-1H-inden-1-id-2-yl)silane);dichloride
CID 161496746
CID 173259193
CID 173259193
bis(2-[4-(4-ethylphenyl)-1H-inden-1-id-2-yl]pyridine);zirconium(4+);dichloride
CID 18420732
cesium 2,6-dipyridin-2-ylphenolate
CID 59522981
dimethylsilylidenezirconium(2+);1H-inden-1-ide;trimethyl-(4-quinolin-3-yl-1H-inden-1-id-2-yl)silane;dichloride
CID 158183837
bis(2-(7-methyl-2-propan-2-yl-1H-inden-1-id-4-yl)pyridine);bis(zirconium(2+));dichloride
CID 18938357
2-methoxy-3-pyridin-2-ylaniline
CID 171626476
2-(2-methylphenyl)pyridine
CID 144596153
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2-tert-butylphenyl)pyridine
CID 67807360
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]-trimethylsilane;methane
CID 161355015

Frequently Asked Questions

What is the IUPAC name of bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride?
The IUPAC name of bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride (CID 18938344) is bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride.
What is the SMILES notation for bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride?
The canonical SMILES for bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride is C[Si](C)(C)c1cc2c(-c3ccccn3)cccc2[cH-]1.C[Si](C)(C)c1cc2c(-c3ccccn3)cccc2[cH-]1.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride?
The InChIKey is ZRIADXBXAMBFGV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H18NSi.2ClH.2Zr/c2*1-19(2,3)14-11-13-7-6-8-15(16(13)12-14)17-9-4-5-10-18-17;;;;/h2*4-12H,1-3H3;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride?
bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride has a molecular weight of 782.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trimethyl-(4-pyridin-2-yl-1H-inden-1-id-2-yl)silane);bis(zirconium(2+));dichloride is sourced from PubChem (CID 18938344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).