1-naphthalen-1-ylethylidenezirconium(2+)

C12H10Zr+2 — CID 158619381

IUPAC1-naphthalen-1-ylethylidenezirconium(2+)
SMILESCC(=[Zr+2])c1cccc2ccccc12
InChIInChI=1S/C12H10.Zr/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;/h3-9H,1H3;/q;+2
InChIKeyDLPWFYKSNZVBLH-UHFFFAOYSA-N
MW245.44 g/mol
LogP2.93
Rot. Bonds1

About 1-naphthalen-1-ylethylidenezirconium(2+)

1-naphthalen-1-ylethylidenezirconium(2+) (PubChem CID 158619381) has the molecular formula C12H10Zr+2 and a molecular weight of 245.44 g/mol. Its IUPAC name is 1-naphthalen-1-ylethylidenezirconium(2+).

Molecular Properties

Compound Name1-naphthalen-1-ylethylidenezirconium(2+)
PubChem CID158619381
Molecular FormulaC12H10Zr+2
Molecular Weight245.44 g/mol
Exact Mass243.98
IUPAC Name1-naphthalen-1-ylethylidenezirconium(2+)
SMILESCC(=[Zr+2])c1cccc2ccccc12
InChIInChI=1S/C12H10.Zr/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;/h3-9H,1H3;/q;+2
InChIKeyDLPWFYKSNZVBLH-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;1-prop-1-en-2-ylnaphthalene
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1-(1-bromoprop-1-en-2-yl)naphthalene
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CID 102208465
CID 102208465
CID 131842500
CID 131842500
CID 129133768
CID 129133768
cyclopenta-1,3-diene;dinaphthalen-1-ylmethylidenezirconium(2+);dichloride
CID 161180646
(E)-4-hydroxy-3-naphthalen-1-ylpent-3-en-2-one
CID 15967864
(Z)-3-naphthalen-1-ylbut-2-enal
CID 138583647
(Z)-4-naphthalen-1-ylpent-3-en-2-ol
CID 103971171
2-iodo-1-naphthalen-1-ylbutane-1,3-dione
CID 165350066
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
CID 91869033
2,2,2-trifluoro-1-naphthalen-1-ylethanethione
CID 23496318

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylethylidenezirconium(2+)?
The IUPAC name of 1-naphthalen-1-ylethylidenezirconium(2+) (CID 158619381) is 1-naphthalen-1-ylethylidenezirconium(2+).
What is the SMILES notation for 1-naphthalen-1-ylethylidenezirconium(2+)?
The canonical SMILES for 1-naphthalen-1-ylethylidenezirconium(2+) is CC(=[Zr+2])c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-ylethylidenezirconium(2+)?
The InChIKey is DLPWFYKSNZVBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.Zr/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;/h3-9H,1H3;/q;+2.
What are the key properties of 1-naphthalen-1-ylethylidenezirconium(2+)?
1-naphthalen-1-ylethylidenezirconium(2+) has a molecular weight of 245.44 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylethylidenezirconium(2+) is sourced from PubChem (CID 158619381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).