1,3-diphenylpropan-2-ylidenezirconium(2+)

C15H14Zr+2 — CID 22171883

IUPAC1,3-diphenylpropan-2-ylidenezirconium(2+)
SMILES[Zr+2]=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14.Zr/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;/h1-6,8-11H,12-13H2;/q;+2
InChIKeyVQQNXQGQOSJWKD-UHFFFAOYSA-N
MW285.50 g/mol
LogP3.19
Rot. Bonds4

About 1,3-diphenylpropan-2-ylidenezirconium(2+)

1,3-diphenylpropan-2-ylidenezirconium(2+) (PubChem CID 22171883) has the molecular formula C15H14Zr+2 and a molecular weight of 285.50 g/mol. Its IUPAC name is 1,3-diphenylpropan-2-ylidenezirconium(2+).

Molecular Properties

Compound Name1,3-diphenylpropan-2-ylidenezirconium(2+)
PubChem CID22171883
Molecular FormulaC15H14Zr+2
Molecular Weight285.50 g/mol
Exact Mass284.01
IUPAC Name1,3-diphenylpropan-2-ylidenezirconium(2+)
SMILES[Zr+2]=C(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H14.Zr/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;/h1-6,8-11H,12-13H2;/q;+2
InChIKeyVQQNXQGQOSJWKD-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.50
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-diphenyl(213C)propan-2-one
CID 100945080
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768
2-phenylacetic acid;silver
CID 50912513
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;dihydrate
CID 168967514
tris(2-phenylacetic acid);rhodium
CID 11168112
benzene;1-phenylpropan-2-one
CID 21430852
(E)-1-phenylbut-2-en-2-ol
CID 170790149
calcium;hydride;2-phenylacetic acid
CID 173132712
lithium 2-phenylacetate
CID 19205773

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropan-2-ylidenezirconium(2+)?
The IUPAC name of 1,3-diphenylpropan-2-ylidenezirconium(2+) (CID 22171883) is 1,3-diphenylpropan-2-ylidenezirconium(2+).
What is the SMILES notation for 1,3-diphenylpropan-2-ylidenezirconium(2+)?
The canonical SMILES for 1,3-diphenylpropan-2-ylidenezirconium(2+) is [Zr+2]=C(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,3-diphenylpropan-2-ylidenezirconium(2+)?
The InChIKey is VQQNXQGQOSJWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14.Zr/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;/h1-6,8-11H,12-13H2;/q;+2.
What are the key properties of 1,3-diphenylpropan-2-ylidenezirconium(2+)?
1,3-diphenylpropan-2-ylidenezirconium(2+) has a molecular weight of 285.50 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropan-2-ylidenezirconium(2+) is sourced from PubChem (CID 22171883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).