3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole

C22H19N — CID 141486883

IUPAC3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole
SMILESCC1C(=Cc2ccc(-c3ccccc3)cc2)Nc2ccccc21
InChIInChI=1S/C22H19N/c1-16-20-9-5-6-10-21(20)23-22(16)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-16,23H,1H3
InChIKeyNINWISMYVVTKHL-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.92
Rot. Bonds2

About 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole

3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole (PubChem CID 141486883) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole.

Molecular Properties

Compound Name3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole
PubChem CID141486883
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole
SMILESCC1C(=Cc2ccc(-c3ccccc3)cc2)Nc2ccccc21
InChIInChI=1S/C22H19N/c1-16-20-9-5-6-10-21(20)23-22(16)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-16,23H,1H3
InChIKeyNINWISMYVVTKHL-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole?
The IUPAC name of 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole (CID 141486883) is 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole.
What is the SMILES notation for 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole?
The canonical SMILES for 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole is CC1C(=Cc2ccc(-c3ccccc3)cc2)Nc2ccccc21.
What is the InChIKey of 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole?
The InChIKey is NINWISMYVVTKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-16-20-9-5-6-10-21(20)23-22(16)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-16,23H,1H3.
What are the key properties of 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole?
3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole has a molecular weight of 297.40 g/mol, XLogP of 5.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-phenylphenyl)methylidene]-1,3-dihydroindole is sourced from PubChem (CID 141486883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).