2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

C42H40Cl2SiZr-2 — CID 161275670

IUPAC2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)ccc(C)c2[cH-]1.Cc1cccc(C)c1-c1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C23H19.C17H15.C2H6Si.2ClH.Zr/c1-16-8-6-9-17(2)23(16)20-14-19-12-7-13-21(22(19)15-20)18-10-4-3-5-11-18;1-12-10-16-13(2)8-9-15(17(16)11-12)14-6-4-3-5-7-14;1-3-2;;;/h3-15H,1-2H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHFORZRUWXNBFLE-UHFFFAOYSA-L
MW735.00 g/mol
LogP6.14
Rot. Bonds3

About 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride

2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (PubChem CID 161275670) has the molecular formula C42H40Cl2SiZr-2 and a molecular weight of 735.00 g/mol. Its IUPAC name is 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.

Molecular Properties

Compound Name2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
PubChem CID161275670
Molecular FormulaC42H40Cl2SiZr-2
Molecular Weight735.00 g/mol
Exact Mass732.13
IUPAC Name2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
SMILESC[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)ccc(C)c2[cH-]1.Cc1cccc(C)c1-c1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-]
InChIInChI=1S/C23H19.C17H15.C2H6Si.2ClH.Zr/c1-16-8-6-9-17(2)23(16)20-14-19-12-7-13-21(22(19)15-20)18-10-4-3-5-11-18;1-12-10-16-13(2)8-9-15(17(16)11-12)14-6-4-3-5-7-14;1-3-2;;;/h3-15H,1-2H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyHFORZRUWXNBFLE-UHFFFAOYSA-L
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.00
LogP ≤ 56.14
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'}

Analyze 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(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

CID 173027351
CID 173027351
2-butan-2-yl-4-phenyl-1H-inden-1-ide;2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
CID 159487976
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
2,7-dimethyl-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);trimethyl-[4-(2-propan-2-yl-1H-inden-1-id-4-yl)phenyl]silane;dichloride
CID 162217794
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
bis(dimethylsilylidenehafnium(2+));bis(2,4-diphenyl-1H-inden-1-ide);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 22251028
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
bis(dimethylsilylidenezirconium(2+));tetrakis(2-methyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 22335826
1-(2,7-dimethyl-1H-inden-1-id-4-yl)naphthalene;dimethylsilylidenezirconium(2+);4-(3-methylphenyl)-2-propan-2-yl-1H-inden-1-ide;dichloride
CID 158823228
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
diphenylsilylidenezirconium(2+);bis(2-methyl-4-phenyl-1H-inden-1-ide);dichloride
CID 162314142
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The IUPAC name of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride (CID 161275670) is 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride.
What is the SMILES notation for 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The canonical SMILES for 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is C[Si](C)=[Zr+2].Cc1cc2c(-c3ccccc3)ccc(C)c2[cH-]1.Cc1cccc(C)c1-c1cc2c(-c3ccccc3)cccc2[cH-]1.[Cl-].[Cl-].
What is the InChIKey of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
The InChIKey is HFORZRUWXNBFLE-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H19.C17H15.C2H6Si.2ClH.Zr/c1-16-8-6-9-17(2)23(16)20-14-19-12-7-13-21(22(19)15-20)18-10-4-3-5-11-18;1-12-10-16-13(2)8-9-15(17(16)11-12)14-6-4-3-5-7-14;1-3-2;;;/h3-15H,1-2H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride?
2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride has a molecular weight of 735.00 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4-phenyl-1H-inden-1-ide;2-(2,6-dimethylphenyl)-4-phenyl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride is sourced from PubChem (CID 161275670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).