dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride

C48H48Cl2SiZr-2 — CID 173141968

IUPACdimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride
SMILESCCCc1cc2c(-c3c(C)ccc4ccccc34)cccc2[cH-]1.CCCc1cc2c(-c3c(C)ccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C23H21.C2H6Si.2ClH.Zr/c2*1-3-7-17-14-19-9-6-11-21(22(19)15-17)23-16(2)12-13-18-8-4-5-10-20(18)23;1-3-2;;;/h2*4-6,8-15H,3,7H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyBKNSSNMCEKFOHN-UHFFFAOYSA-L
MW815.13 g/mol
LogP8.07
Rot. Bonds6

About dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride

dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride (PubChem CID 173141968) has the molecular formula C48H48Cl2SiZr-2 and a molecular weight of 815.13 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride
PubChem CID173141968
Molecular FormulaC48H48Cl2SiZr-2
Molecular Weight815.13 g/mol
Exact Mass812.20
IUPAC Namedimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride
SMILESCCCc1cc2c(-c3c(C)ccc4ccccc34)cccc2[cH-]1.CCCc1cc2c(-c3c(C)ccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-]
InChIInChI=1S/2C23H21.C2H6Si.2ClH.Zr/c2*1-3-7-17-14-19-9-6-11-21(22(19)15-17)23-16(2)12-13-18-8-4-5-10-20(18)23;1-3-2;;;/h2*4-6,8-15H,3,7H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyBKNSSNMCEKFOHN-UHFFFAOYSA-L
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.13
LogP ≤ 58.07
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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Related Compounds

methylidenezirconium(2+);bis(1-(2-propyl-1H-inden-1-id-4-yl)naphthalene)
CID 140577424
dichlorozirconium;2-methyl-1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene
CID 174389435
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-(2,4,6-trimethylphenyl)-1H-inden-1-ide);dichloride
CID 18008289
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 173142082
bis(2-butyl-4-phenyl-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 173142083
dimethylsilylidenezirconium(2+);bis(1-[2-(2-methylpropyl)-1H-inden-1-id-4-yl]naphthalene);dichloride
CID 173142018
dimethylsilylidenezirconium(2+);1-(7-methyl-2-pentyl-1H-inden-1-id-4-yl)naphthalene;1-(2-propan-2-yl-1H-inden-1-id-4-yl)naphthalene;dichloride
CID 160963311
CID 173190065
CID 173190065
tetrakis(4-(2-bromophenyl)-2-ethyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 18008297
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride?
The IUPAC name of dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride (CID 173141968) is dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride is CCCc1cc2c(-c3c(C)ccc4ccccc34)cccc2[cH-]1.CCCc1cc2c(-c3c(C)ccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Zr+2].[Cl-].[Cl-].
What is the InChIKey of dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride?
The InChIKey is BKNSSNMCEKFOHN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H21.C2H6Si.2ClH.Zr/c2*1-3-7-17-14-19-9-6-11-21(22(19)15-17)23-16(2)12-13-18-8-4-5-10-20(18)23;1-3-2;;;/h2*4-6,8-15H,3,7H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride?
dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride has a molecular weight of 815.13 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);bis(2-methyl-1-(2-propyl-1H-inden-1-id-4-yl)naphthalene);dichloride is sourced from PubChem (CID 173141968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).