1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide

C13H9Br3Zr — CID 173097773

IUPAC1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
SMILES[Br-].[Br-].[Br-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3BrH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h1-5,7-8H,9H2;3*1H;/q-1;;;;+4/p-3
InChIKeyJTUQSPOWZYLIFT-UHFFFAOYSA-K
MW496.15 g/mol
LogP-5.93
Rot. Bonds

About 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide

1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide (PubChem CID 173097773) has the molecular formula C13H9Br3Zr and a molecular weight of 496.15 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
PubChem CID173097773
Molecular FormulaC13H9Br3Zr
Molecular Weight496.15 g/mol
Exact Mass491.73
IUPAC Name1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
SMILES[Br-].[Br-].[Br-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3BrH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h1-5,7-8H,9H2;3*1H;/q-1;;;;+4/p-3
InChIKeyJTUQSPOWZYLIFT-UHFFFAOYSA-K
XLogP-5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.15
LogP ≤ 5-5.93
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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Related Compounds

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CID 154493054
bis(1,9-dihydrofluoren-1-ide);dimethylgermylidenezirconium(2+);dichloride
CID 159771388
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
butane;1,9-dihydrofluoren-1-ide;titanium(4+)
CID 150363800
CID 159626377
CID 159626377
dichloro(ethylidene)zirconium;bis(1,9-dihydrofluoren-1-ide)
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CID 175327463

Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide?
The IUPAC name of 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide (CID 173097773) is 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide is [Br-].[Br-].[Br-].[Zr+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide?
The InChIKey is JTUQSPOWZYLIFT-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.3BrH.Zr/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;;;/h1-5,7-8H,9H2;3*1H;/q-1;;;;+4/p-3.
What are the key properties of 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide?
1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide has a molecular weight of 496.15 g/mol, XLogP of -5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide is sourced from PubChem (CID 173097773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).