cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)

C24H18Zr — CID 173230039

IUPACcyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)
SMILES[Zr+2].[c-]1ccccc1C1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H9.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10(7-3-1)11-8-4-5-9-11;/h1-9H;1-6,8H,9H2;/q2*-1;+2
InChIKeyYORPFFUEEIUGPN-UHFFFAOYSA-N
MW397.63 g/mol
LogP6.54
Rot. Bonds1

About cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)

cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+) (PubChem CID 173230039) has the molecular formula C24H18Zr and a molecular weight of 397.63 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)
PubChem CID173230039
Molecular FormulaC24H18Zr
Molecular Weight397.63 g/mol
Exact Mass396.05
IUPAC Namecyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)
SMILES[Zr+2].[c-]1ccccc1C1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C11H9.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10(7-3-1)11-8-4-5-9-11;/h1-9H;1-6,8H,9H2;/q2*-1;+2
InChIKeyYORPFFUEEIUGPN-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.63
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+) (CID 173230039) is cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+) is [Zr+2].[c-]1ccccc1C1=CC=CC1.c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)?
The InChIKey is YORPFFUEEIUGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9.C11H9.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-6-10(7-3-1)11-8-4-5-9-11;/h1-9H;1-6,8H,9H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+)?
cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+) has a molecular weight of 397.63 g/mol, XLogP of 6.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-ylbenzene;9H-fluoren-9-ide;zirconium(2+) is sourced from PubChem (CID 173230039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).