2-[3-(1H-inden-2-yl)phenyl]-1H-indene

C₂₄H₁₈ — CID 159714267

About 2-[3-(1H-inden-2-yl)phenyl]-1H-indene

2-[3-(1H-inden-2-yl)phenyl]-1H-indene (PubChem CID 159714267) has the molecular formula C₂₄H₁₈ and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[3-(1H-inden-2-yl)phenyl]-1H-indene.

Molecular Properties

• Compound Name: 2-[3-(1H-inden-2-yl)phenyl]-1H-indene
• PubChem CID: 159714267
• Molecular Formula: C₂₄H₁₈
• Molecular Weight: 306.41 g/mol
• Exact Mass: 306.14
• IUPAC Name: 2-[3-(1H-inden-2-yl)phenyl]-1H-indene
• SMILES: C1=C(c2cccc(C3=Cc4ccccc4C3)c2)Cc2ccccc21
• InChI: InChI=1S/C24H18/c1-2-7-18-14-23(13-17(18)6-1)21-10-5-11-22(12-21)24-15-19-8-3-4-9-20(19)16-24/h1-13,15H,14,16H2
• InChIKey: GKGRPCYLXPJFBF-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 0.00 Ų
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	306.41
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-inden-2-yl)phenyl]-1H-indene?

The IUPAC name of 2-[3-(1H-inden-2-yl)phenyl]-1H-indene (CID 159714267) is 2-[3-(1H-inden-2-yl)phenyl]-1H-indene.

What is the SMILES notation for 2-[3-(1H-inden-2-yl)phenyl]-1H-indene?

The canonical SMILES for 2-[3-(1H-inden-2-yl)phenyl]-1H-indene is C1=C(c2cccc(C3=Cc4ccccc4C3)c2)Cc2ccccc21.

What is the InChIKey of 2-[3-(1H-inden-2-yl)phenyl]-1H-indene?

The InChIKey is GKGRPCYLXPJFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-2-7-18-14-23(13-17(18)6-1)21-10-5-11-22(12-21)24-15-19-8-3-4-9-20(19)16-24/h1-13,15H,14,16H2.

What are the key properties of 2-[3-(1H-inden-2-yl)phenyl]-1H-indene?

2-[3-(1H-inden-2-yl)phenyl]-1H-indene has a molecular weight of 306.41 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1H-inden-2-yl)phenyl]-1H-indene is sourced from PubChem (CID 159714267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159714267 — identifiers, structure, computed properties (public domain)

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