dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

C34H36Cl2SiZr — CID 90234740

IUPACdimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cl.Cl.c1ccc2c(-c3c[cH-]c4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C23H15.C9H13.C2H6Si.2ClH.Zr/c1-4-10-19-16(7-1)13-14-22(19)23-20-11-5-2-8-17(20)15-18-9-3-6-12-21(18)23;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-15H;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyRRUKGQCSUXZDOC-UHFFFAOYSA-N
MW634.88 g/mol
LogP10.88
Rot. Bonds1

About dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (PubChem CID 90234740) has the molecular formula C34H36Cl2SiZr and a molecular weight of 634.88 g/mol. Its IUPAC name is dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.

Molecular Properties

Compound Namedimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
PubChem CID90234740
Molecular FormulaC34H36Cl2SiZr
Molecular Weight634.88 g/mol
Exact Mass632.10
IUPAC Namedimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cl.Cl.c1ccc2c(-c3c[cH-]c4ccccc34)c3ccccc3cc2c1
InChIInChI=1S/C23H15.C9H13.C2H6Si.2ClH.Zr/c1-4-10-19-16(7-1)13-14-22(19)23-20-11-5-2-8-17(20)15-18-9-3-6-12-21(18)23;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-15H;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyRRUKGQCSUXZDOC-UHFFFAOYSA-N
XLogP10.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.88
LogP ≤ 510.88
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The IUPAC name of dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (CID 90234740) is dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.
What is the SMILES notation for dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The canonical SMILES for dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Zr+2].Cl.Cl.c1ccc2c(-c3c[cH-]c4ccccc34)c3ccccc3cc2c1.
What is the InChIKey of dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The InChIKey is RRUKGQCSUXZDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15.C9H13.C2H6Si.2ClH.Zr/c1-4-10-19-16(7-1)13-14-22(19)23-20-11-5-2-8-17(20)15-18-9-3-6-12-21(18)23;1-6-5-7(2)9(4)8(6)3;1-3-2;;;/h1-15H;6H,1-4H3;1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride has a molecular weight of 634.88 g/mol, XLogP of 10.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenezirconium(2+);9-(3H-inden-3-id-1-yl)anthracene;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is sourced from PubChem (CID 90234740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).