bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)

C27H22Zr — CID 22027323

IUPACbis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
SMILESC.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.CH4.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h2*1-5,7-8H,9H2;1H4;/q2*-1;;+2
InChIKeyCFKGBTHHJOSUMO-UHFFFAOYSA-N
MW437.70 g/mol
LogP6.75
Rot. Bonds

About bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)

bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+) (PubChem CID 22027323) has the molecular formula C27H22Zr and a molecular weight of 437.70 g/mol. Its IUPAC name is bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+).

Molecular Properties

Compound Namebis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
PubChem CID22027323
Molecular FormulaC27H22Zr
Molecular Weight437.70 g/mol
Exact Mass436.08
IUPAC Namebis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)
SMILESC.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.CH4.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h2*1-5,7-8H,9H2;1H4;/q2*-1;;+2
InChIKeyCFKGBTHHJOSUMO-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.70
LogP ≤ 56.75
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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1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
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1,9-dihydrofluoren-1-ide;zirconium(4+);tribromide
CID 173097773
CID 154493054
CID 154493054
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CID 19698863
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)
CID 87137061
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CID 175327463

Frequently Asked Questions

What is the IUPAC name of bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)?
The IUPAC name of bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+) (CID 22027323) is bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+).
What is the SMILES notation for bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)?
The canonical SMILES for bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+) is C.[Zr+2].[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)?
The InChIKey is CFKGBTHHJOSUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H9.CH4.Zr/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;;/h2*1-5,7-8H,9H2;1H4;/q2*-1;;+2.
What are the key properties of bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+)?
bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+) has a molecular weight of 437.70 g/mol, XLogP of 6.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,9-dihydrofluoren-1-ide);methane;zirconium(2+) is sourced from PubChem (CID 22027323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).