dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride

C46H38Cl2N2SiZr-2 — CID 87555166

IUPACdimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride
SMILESC[Si](C)=[Zr+2].Cc1[cH-]c2ccccc2c1-c1cccc2[nH]c3ccccc3c12.Cc1[cH-]c2ccccc2c1-c1cccc2[nH]c3ccccc3c12.[Cl-].[Cl-]
InChIInChI=1S/2C22H16N.C2H6Si.2ClH.Zr/c2*1-14-13-15-7-2-3-8-16(15)21(14)18-10-6-12-20-22(18)17-9-4-5-11-19(17)23-20;1-3-2;;;/h2*2-13,23H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJHCCJZFBJZFZNJ-UHFFFAOYSA-L
MW809.04 g/mol
LogP7.13
Rot. Bonds2

About dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride

dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride (PubChem CID 87555166) has the molecular formula C46H38Cl2N2SiZr-2 and a molecular weight of 809.04 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride
PubChem CID87555166
Molecular FormulaC46H38Cl2N2SiZr-2
Molecular Weight809.04 g/mol
Exact Mass806.12
IUPAC Namedimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride
SMILESC[Si](C)=[Zr+2].Cc1[cH-]c2ccccc2c1-c1cccc2[nH]c3ccccc3c12.Cc1[cH-]c2ccccc2c1-c1cccc2[nH]c3ccccc3c12.[Cl-].[Cl-]
InChIInChI=1S/2C22H16N.C2H6Si.2ClH.Zr/c2*1-14-13-15-7-2-3-8-16(15)21(14)18-10-6-12-20-22(18)17-9-4-5-11-19(17)23-20;1-3-2;;;/h2*2-13,23H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyJHCCJZFBJZFZNJ-UHFFFAOYSA-L
XLogP7.13
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.04
LogP ≤ 57.13
H-Bond Donors ≤ 52
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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Related Compounds

CID 173063807
CID 173063807
ethane;4-phenyl-9H-carbazole
CID 168948755
CID 173063857
CID 173063857
4-phenyl-9H-carbazole
CID 22990274
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
2-(9H-carbazol-4-yl)benzonitrile
CID 171060535
bis(dimethylsilylidenezirconium(2+));tetrakis(2,4-diphenyl-1H-inden-1-ide);dichloride
CID 22602504
bis(2,3-dimethyl-4H-indeno[2,1-b]pyrrol-4-ide);dimethylsilylidenezirconium(2+);dichloride
CID 162181422
4-[10-(11,11-dimethylbenzo[a]fluoren-5-yl)anthracen-9-yl]-9H-carbazole
CID 170091383
bis(4-(3,5-difluorophenyl)-2-methyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 157120619
tetrakis(2-methyl-4-phenyl-1H-inden-1-ide);bis([methyl(phenyl)silylidene]zirconium(2+));dichloride
CID 22335809
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 dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride (CID 87555166) is dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride is C[Si](C)=[Zr+2].Cc1[cH-]c2ccccc2c1-c1cccc2[nH]c3ccccc3c12.Cc1[cH-]c2ccccc2c1-c1cccc2[nH]c3ccccc3c12.[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride?
The InChIKey is JHCCJZFBJZFZNJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C22H16N.C2H6Si.2ClH.Zr/c2*1-14-13-15-7-2-3-8-16(15)21(14)18-10-6-12-20-22(18)17-9-4-5-11-19(17)23-20;1-3-2;;;/h2*2-13,23H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride?
dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride has a molecular weight of 809.04 g/mol, XLogP of 7.13, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(4-(2-methyl-3H-inden-3-id-1-yl)-9H-carbazole);dichloride is sourced from PubChem (CID 87555166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).