dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)

C26H40Cl2SiZr-2 — CID 173276468

IUPACdichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c([cH-]1)C(C)CCC2C.Cc1cc2c([cH-]1)C(C)CCC2C
InChIInChI=1S/2C12H17.C2H6Si.2ClH.Zr/c2*1-8-6-11-9(2)4-5-10(3)12(11)7-8;1-3-2;;;/h2*6-7,9-10H,4-5H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCICJGBJSKAFEAW-UHFFFAOYSA-L
MW542.82 g/mol
LogP9.59
Rot. Bonds

About dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)

dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide) (PubChem CID 173276468) has the molecular formula C26H40Cl2SiZr-2 and a molecular weight of 542.82 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)
PubChem CID173276468
Molecular FormulaC26H40Cl2SiZr-2
Molecular Weight542.82 g/mol
Exact Mass540.13
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc2c([cH-]1)C(C)CCC2C.Cc1cc2c([cH-]1)C(C)CCC2C
InChIInChI=1S/2C12H17.C2H6Si.2ClH.Zr/c2*1-8-6-11-9(2)4-5-10(3)12(11)7-8;1-3-2;;;/h2*6-7,9-10H,4-5H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyCICJGBJSKAFEAW-UHFFFAOYSA-L
XLogP9.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.82
LogP ≤ 59.59
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 dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide) 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

Meso-ethylenebis(1-indenyl)zirconium(IV) dichloride
CID 16212518
9-Methyl-9-(trimethylsilyl)fluorene
CID 3484382
Dichloro[(dimethylsilylene)bis(2-methyl-4-phenylindenyl)]zirconium(IV)
CID 18365609
9-(Trimethylsilyl)fluorene
CID 553570
9H-fluoren-2-ylmethyl(trimethyl)silane
CID 132540419
rac-Dimethylsilylbis (2-methylindenyl) zirconium dichloride
CID 15390285
Zirconium(4+) 1,1'-(ethane-1,2-diyl)di(4,5,6,7-tetrahydroinden-3a-ide) methanide (1/1/2)
CID 91981075
CID 10952299
CID 10952299
CID 134991167
CID 134991167
9-t-Butyldimethylsilylfluorene
CID 10378948
(2,7-Di-tert-butyl-9H-fluoren-9-yl)(trimethyl)silane
CID 19902680
Trimethylsilyl fluorene
CID 21254243

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide) (CID 173276468) is dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide) is C[Si](C)=[Zr](Cl)Cl.Cc1cc2c([cH-]1)C(C)CCC2C.Cc1cc2c([cH-]1)C(C)CCC2C.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)?
The InChIKey is CICJGBJSKAFEAW-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H17.C2H6Si.2ClH.Zr/c2*1-8-6-11-9(2)4-5-10(3)12(11)7-8;1-3-2;;;/h2*6-7,9-10H,4-5H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide)?
dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide) has a molecular weight of 542.82 g/mol, XLogP of 9.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(2,4,7-trimethyl-4,5,6,7-tetrahydro-1H-inden-1-ide) is sourced from PubChem (CID 173276468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).