bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride

C26H14Br4Cl2Zr2 — CID 22436019

IUPACbis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride
SMILESBrc1ccc2c(c1)[cH-]c1cc(Br)ccc12.Brc1ccc2c(c1)[cH-]c1cc(Br)ccc12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C13H7Br2.2ClH.2Zr/c2*14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;;;;/h2*1-7H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyNUEVCLPMAVJFJH-UHFFFAOYSA-L
MW899.37 g/mol
LogP4.48
Rot. Bonds

About bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride

bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride (PubChem CID 22436019) has the molecular formula C26H14Br4Cl2Zr2 and a molecular weight of 899.37 g/mol. Its IUPAC name is bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride.

Molecular Properties

Compound Namebis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride
PubChem CID22436019
Molecular FormulaC26H14Br4Cl2Zr2
Molecular Weight899.37 g/mol
Exact Mass891.53
IUPAC Namebis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride
SMILESBrc1ccc2c(c1)[cH-]c1cc(Br)ccc12.Brc1ccc2c(c1)[cH-]c1cc(Br)ccc12.[Cl-].[Cl-].[Zr+2].[Zr+2]
InChIInChI=1S/2C13H7Br2.2ClH.2Zr/c2*14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;;;;/h2*1-7H;2*1H;;/q2*-1;;;2*+2/p-2
InChIKeyNUEVCLPMAVJFJH-UHFFFAOYSA-L
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500899.37
LogP ≤ 54.48
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 59658286
1,4,6-tribromophthalazine
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2,6-dibromonaphthalene
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CID 11851387
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CID 154481762

Frequently Asked Questions

What is the IUPAC name of bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride?
The IUPAC name of bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride (CID 22436019) is bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride.
What is the SMILES notation for bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride?
The canonical SMILES for bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride is Brc1ccc2c(c1)[cH-]c1cc(Br)ccc12.Brc1ccc2c(c1)[cH-]c1cc(Br)ccc12.[Cl-].[Cl-].[Zr+2].[Zr+2].
What is the InChIKey of bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride?
The InChIKey is NUEVCLPMAVJFJH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H7Br2.2ClH.2Zr/c2*14-10-1-3-12-8(6-10)5-9-7-11(15)2-4-13(9)12;;;;/h2*1-7H;2*1H;;/q2*-1;;;2*+2/p-2.
What are the key properties of bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride?
bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride has a molecular weight of 899.37 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,7-dibromo-9H-fluoren-9-ide);bis(zirconium(2+));dichloride is sourced from PubChem (CID 22436019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).