4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium

C19H19Zr- — CID 174373045

IUPAC4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium
SMILESCc1c(C)c(C)c2[cH-]c(-c3ccccc3)cc2c1C.[Zr]
InChIInChI=1S/C19H19.Zr/c1-12-13(2)15(4)19-11-17(10-18(19)14(12)3)16-8-6-5-7-9-16;/h5-11H,1-4H3;/q-1;
InChIKeyYBWLHNKZIGTOEJ-UHFFFAOYSA-N
MW338.58 g/mol
LogP5.46
Rot. Bonds1

About 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium

4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium (PubChem CID 174373045) has the molecular formula C19H19Zr- and a molecular weight of 338.58 g/mol. Its IUPAC name is 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium.

Molecular Properties

Compound Name4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium
PubChem CID174373045
Molecular FormulaC19H19Zr-
Molecular Weight338.58 g/mol
Exact Mass337.05
IUPAC Name4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium
SMILESCc1c(C)c(C)c2[cH-]c(-c3ccccc3)cc2c1C.[Zr]
InChIInChI=1S/C19H19.Zr/c1-12-13(2)15(4)19-11-17(10-18(19)14(12)3)16-8-6-5-7-9-16;/h5-11H,1-4H3;/q-1;
InChIKeyYBWLHNKZIGTOEJ-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 55.46
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 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium?
The IUPAC name of 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium (CID 174373045) is 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium.
What is the SMILES notation for 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium?
The canonical SMILES for 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium is Cc1c(C)c(C)c2[cH-]c(-c3ccccc3)cc2c1C.[Zr].
What is the InChIKey of 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium?
The InChIKey is YBWLHNKZIGTOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19.Zr/c1-12-13(2)15(4)19-11-17(10-18(19)14(12)3)16-8-6-5-7-9-16;/h5-11H,1-4H3;/q-1;.
What are the key properties of 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium?
4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium has a molecular weight of 338.58 g/mol, XLogP of 5.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetramethyl-2-phenyl-1H-inden-1-ide;zirconium is sourced from PubChem (CID 174373045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).