dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)

C34H32Cl2SiZr-2 — CID 154419868

IUPACdichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc(-c2cccc3ccccc23)c[cH-]1.Cc1cc(-c2cccc3ccccc23)c[cH-]1
InChIInChI=1S/2C16H13.C2H6Si.2ClH.Zr/c2*1-12-9-10-14(11-12)16-8-4-6-13-5-2-3-7-15(13)16;1-3-2;;;/h2*2-11H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGGXPYNBJPHVZOC-UHFFFAOYSA-L
MW630.85 g/mol
LogP11.23
Rot. Bonds2

About dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)

dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene) (PubChem CID 154419868) has the molecular formula C34H32Cl2SiZr-2 and a molecular weight of 630.85 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)
PubChem CID154419868
Molecular FormulaC34H32Cl2SiZr-2
Molecular Weight630.85 g/mol
Exact Mass628.07
IUPAC Namedichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)
SMILESC[Si](C)=[Zr](Cl)Cl.Cc1cc(-c2cccc3ccccc23)c[cH-]1.Cc1cc(-c2cccc3ccccc23)c[cH-]1
InChIInChI=1S/2C16H13.C2H6Si.2ClH.Zr/c2*1-12-9-10-14(11-12)16-8-4-6-13-5-2-3-7-15(13)16;1-3-2;;;/h2*2-11H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyGGXPYNBJPHVZOC-UHFFFAOYSA-L
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.85
LogP ≤ 511.23
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

1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene;zirconium(3+);dichloride
CID 172728254
1-(3-methyl-5-naphthalen-1-ylphenyl)naphthalene
CID 59171646
dichloro(dimethylsilylidene)zirconium;bis(1-(2-pentyl-1H-inden-1-id-4-yl)naphthalene)
CID 87216555
dichloro(dimethylsilylidene)zirconium;2,4-diphenyl-1H-inden-1-ide;1H-inden-1-ide
CID 173268351
tris(dimethylsilylidenezirconium(2+));bis(2-methyl-1H-inden-1-ide);bis(1-(2-methyl-1H-inden-1-id-4-yl)naphthalene);bis(2-methyl-4-phenyl-1H-inden-1-ide);tetrahydrochloride
CID 172741772
1-(2-methyl-4-naphthalen-1-ylphenyl)naphthalene
CID 145377660
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
9,10-dimethyl-3-naphthalen-1-ylphenanthrene
CID 158591349
dichloro(dimethylsilylidene)zirconium;bis(9-(2-propan-2-yl-1H-inden-1-id-4-yl)anthracene)
CID 87216415
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)?
The IUPAC name of dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene) (CID 154419868) is dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene).
What is the SMILES notation for dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)?
The canonical SMILES for dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene) is C[Si](C)=[Zr](Cl)Cl.Cc1cc(-c2cccc3ccccc23)c[cH-]1.Cc1cc(-c2cccc3ccccc23)c[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)?
The InChIKey is GGXPYNBJPHVZOC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H13.C2H6Si.2ClH.Zr/c2*1-12-9-10-14(11-12)16-8-4-6-13-5-2-3-7-15(13)16;1-3-2;;;/h2*2-11H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene)?
dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene) has a molecular weight of 630.85 g/mol, XLogP of 11.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)zirconium;bis(1-(4-methylcyclopenta-1,4-dien-1-yl)naphthalene) is sourced from PubChem (CID 154419868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).