dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)

C48H48Cl2O4SiZr-2 — CID 87358207

IUPACdichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)
SMILESCOc1ccc(-c2c(C)ccc3[cH-]c(-c4cc(C)c(C)o4)cc23)cc1.COc1ccc(-c2c(C)ccc3[cH-]c(-c4cc(C)c(C)o4)cc23)cc1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C23H21O2.C2H6Si.2ClH.Zr/c2*1-14-5-6-18-12-19(22-11-15(2)16(3)25-22)13-21(18)23(14)17-7-9-20(24-4)10-8-17;1-3-2;;;/h2*5-13H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOSDMSFYIBYUFNU-UHFFFAOYSA-L
MW879.12 g/mol
LogP15.00
Rot. Bonds6

About dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)

dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran) (PubChem CID 87358207) has the molecular formula C48H48Cl2O4SiZr-2 and a molecular weight of 879.12 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)
PubChem CID87358207
Molecular FormulaC48H48Cl2O4SiZr-2
Molecular Weight879.12 g/mol
Exact Mass876.18
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)
SMILESCOc1ccc(-c2c(C)ccc3[cH-]c(-c4cc(C)c(C)o4)cc23)cc1.COc1ccc(-c2c(C)ccc3[cH-]c(-c4cc(C)c(C)o4)cc23)cc1.C[Si](C)=[Zr](Cl)Cl
InChIInChI=1S/2C23H21O2.C2H6Si.2ClH.Zr/c2*1-14-5-6-18-12-19(22-11-15(2)16(3)25-22)13-21(18)23(14)17-7-9-20(24-4)10-8-17;1-3-2;;;/h2*5-13H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyOSDMSFYIBYUFNU-UHFFFAOYSA-L
XLogP15.00
TPSA44.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.12
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran) (CID 87358207) is dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran) is COc1ccc(-c2c(C)ccc3[cH-]c(-c4cc(C)c(C)o4)cc23)cc1.COc1ccc(-c2c(C)ccc3[cH-]c(-c4cc(C)c(C)o4)cc23)cc1.C[Si](C)=[Zr](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)?
The InChIKey is OSDMSFYIBYUFNU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C23H21O2.C2H6Si.2ClH.Zr/c2*1-14-5-6-18-12-19(22-11-15(2)16(3)25-22)13-21(18)23(14)17-7-9-20(24-4)10-8-17;1-3-2;;;/h2*5-13H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran)?
dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran) has a molecular weight of 879.12 g/mol, XLogP of 15.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(5-[4-(4-methoxyphenyl)-5-methyl-1H-inden-1-id-2-yl]-2,3-dimethylfuran) is sourced from PubChem (CID 87358207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).