2-(4-phenylphenyl)-1H-indene;zirconium

C21H16Zr — CID 174373323

IUPAC2-(4-phenylphenyl)-1H-indene;zirconium
SMILESC1=C(c2ccc(-c3ccccc3)cc2)Cc2ccccc21.[Zr]
InChIInChI=1S/C21H16.Zr/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-14-19-8-4-5-9-20(19)15-21;/h1-14H,15H2;
InChIKeyCLSCUMOGLVYYEC-UHFFFAOYSA-N
MW359.58 g/mol
LogP5.45
Rot. Bonds2

About 2-(4-phenylphenyl)-1H-indene;zirconium

2-(4-phenylphenyl)-1H-indene;zirconium (PubChem CID 174373323) has the molecular formula C21H16Zr and a molecular weight of 359.58 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1H-indene;zirconium.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1H-indene;zirconium
PubChem CID174373323
Molecular FormulaC21H16Zr
Molecular Weight359.58 g/mol
Exact Mass358.03
IUPAC Name2-(4-phenylphenyl)-1H-indene;zirconium
SMILESC1=C(c2ccc(-c3ccccc3)cc2)Cc2ccccc21.[Zr]
InChIInChI=1S/C21H16.Zr/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-14-19-8-4-5-9-20(19)15-21;/h1-14H,15H2;
InChIKeyCLSCUMOGLVYYEC-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.58
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(4-phenylphenyl)-1H-indene;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1H-indene;zirconium?
The IUPAC name of 2-(4-phenylphenyl)-1H-indene;zirconium (CID 174373323) is 2-(4-phenylphenyl)-1H-indene;zirconium.
What is the SMILES notation for 2-(4-phenylphenyl)-1H-indene;zirconium?
The canonical SMILES for 2-(4-phenylphenyl)-1H-indene;zirconium is C1=C(c2ccc(-c3ccccc3)cc2)Cc2ccccc21.[Zr].
What is the InChIKey of 2-(4-phenylphenyl)-1H-indene;zirconium?
The InChIKey is CLSCUMOGLVYYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16.Zr/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)21-14-19-8-4-5-9-20(19)15-21;/h1-14H,15H2;.
What are the key properties of 2-(4-phenylphenyl)-1H-indene;zirconium?
2-(4-phenylphenyl)-1H-indene;zirconium has a molecular weight of 359.58 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1H-indene;zirconium is sourced from PubChem (CID 174373323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).