1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride

C13H9Cl3V — CID 173274804

IUPAC1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[V+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3ClH.V/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
InChIKeyDILKZHIXZPHBSL-UHFFFAOYSA-K
MW322.52 g/mol
LogP-5.93
Rot. Bonds

About 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride

1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride (PubChem CID 173274804) has the molecular formula C13H9Cl3V and a molecular weight of 322.52 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
PubChem CID173274804
Molecular FormulaC13H9Cl3V
Molecular Weight322.52 g/mol
Exact Mass320.92
IUPAC Name1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride
SMILES[Cl-].[Cl-].[Cl-].[V+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.3ClH.V/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
InChIKeyDILKZHIXZPHBSL-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 ≤ 500322.52
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 159771388
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CID 159626377
carbanide;bis(1,9-dihydrofluoren-1-ide);dimethylsilylidenezirconium
CID 173275196
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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride (CID 173274804) is 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride is [Cl-].[Cl-].[Cl-].[V+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride?
The InChIKey is DILKZHIXZPHBSL-UHFFFAOYSA-K. The full InChI is InChI=1S/C13H9.3ClH.V/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;vanadium(4+);trichloride?
1,9-dihydrofluoren-1-ide;vanadium(4+);trichloride has a molecular weight of 322.52 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;vanadium(4+);trichloride is sourced from PubChem (CID 173274804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).