dinaphthalen-2-ylmethylidenezirconium(2+)

C21H14Zr+2 — CID 23124106

IUPACdinaphthalen-2-ylmethylidenezirconium(2+)
SMILES[Zr+2]=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14.Zr/c1-3-7-20-14-16(9-11-18(20)5-1)13-17-10-12-19-6-2-4-8-21(19)15-17;/h1-12,14-15H;/q;+2
InChIKeyNBVYXDSAJSRCBB-UHFFFAOYSA-N
MW357.57 g/mol
LogP5.11
Rot. Bonds2

About dinaphthalen-2-ylmethylidenezirconium(2+)

dinaphthalen-2-ylmethylidenezirconium(2+) (PubChem CID 23124106) has the molecular formula C21H14Zr+2 and a molecular weight of 357.57 g/mol. Its IUPAC name is dinaphthalen-2-ylmethylidenezirconium(2+).

Molecular Properties

Compound Namedinaphthalen-2-ylmethylidenezirconium(2+)
PubChem CID23124106
Molecular FormulaC21H14Zr+2
Molecular Weight357.57 g/mol
Exact Mass356.01
IUPAC Namedinaphthalen-2-ylmethylidenezirconium(2+)
SMILES[Zr+2]=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C21H14.Zr/c1-3-7-20-14-16(9-11-18(20)5-1)13-17-10-12-19-6-2-4-8-21(19)15-17;/h1-12,14-15H;/q;+2
InChIKeyNBVYXDSAJSRCBB-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.57
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
naphthalene-2-carboxylic acid
CID 175967775
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
CID 175020259
CID 175020259
bis(naphthalene-2-carboxylate);nickel(2+)
CID 14647680
potassium naphthalene-2-carboxylate
CID 23664129
1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
mercury(2+);bis(naphthalene-2-carboxylate)
CID 22604304
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(E)-2-naphthalen-2-ylprop-1-en-1-ol
CID 70376926

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-2-ylmethylidenezirconium(2+)?
The IUPAC name of dinaphthalen-2-ylmethylidenezirconium(2+) (CID 23124106) is dinaphthalen-2-ylmethylidenezirconium(2+).
What is the SMILES notation for dinaphthalen-2-ylmethylidenezirconium(2+)?
The canonical SMILES for dinaphthalen-2-ylmethylidenezirconium(2+) is [Zr+2]=C(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of dinaphthalen-2-ylmethylidenezirconium(2+)?
The InChIKey is NBVYXDSAJSRCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14.Zr/c1-3-7-20-14-16(9-11-18(20)5-1)13-17-10-12-19-6-2-4-8-21(19)15-17;/h1-12,14-15H;/q;+2.
What are the key properties of dinaphthalen-2-ylmethylidenezirconium(2+)?
dinaphthalen-2-ylmethylidenezirconium(2+) has a molecular weight of 357.57 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-2-ylmethylidenezirconium(2+) is sourced from PubChem (CID 23124106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).