(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one

C32H24O2 — CID 11797380

About (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one

(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one (PubChem CID 11797380) has the molecular formula C32H24O2 and a molecular weight of 440.54 g/mol. Its IUPAC name is (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one.

Molecular Properties

• Compound Name: (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
• PubChem CID: 11797380
• Molecular Formula: C32H24O2
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.18
• IUPAC Name: (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one
• SMILES: Cc1ccccc1[C@@H]1/C(=C2/C(=O)c3ccccc3[C@@H]2c2ccccc2C)C(=O)c2ccccc21
• InChI: InChI=1S/C32H24O2/c1-19-11-3-5-13-21(19)27-23-15-7-9-17-25(23)31(33)29(27)30-28(22-14-6-4-12-20(22)2)24-16-8-10-18-26(24)32(30)34/h3-18,27-28H,1-2H3/b30-29-/t27-,28-/m0/s1
• InChIKey: GOVNOSAXAVNGPO-GRUWNNGQSA-N
• XLogP: 6.96
• TPSA: 34.14 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one?

The IUPAC name of (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one (CID 11797380) is (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one.

What is the SMILES notation for (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one?

The canonical SMILES for (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one is Cc1ccccc1[C@@H]1/C(=C2/C(=O)c3ccccc3[C@@H]2c2ccccc2C)C(=O)c2ccccc21.

What is the InChIKey of (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one?

The InChIKey is GOVNOSAXAVNGPO-GRUWNNGQSA-N. The full InChI is InChI=1S/C32H24O2/c1-19-11-3-5-13-21(19)27-23-15-7-9-17-25(23)31(33)29(27)30-28(22-14-6-4-12-20(22)2)24-16-8-10-18-26(24)32(30)34/h3-18,27-28H,1-2H3/b30-29-/t27-,28-/m0/s1.

What are the key properties of (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one?

(2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one has a molecular weight of 440.54 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,3S)-3-(2-methylphenyl)-2-[(1S)-1-(2-methylphenyl)-3-oxo-1H-inden-2-ylidene]-3H-inden-1-one is sourced from PubChem (CID 11797380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).