1-methyl-3,3-diphenylindol-2-one

C21H17NO — CID 3309404

IUPAC1-methyl-3,3-diphenylindol-2-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H17NO/c1-22-19-15-9-8-14-18(19)21(20(22)23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyFKLMILZAWJDMIS-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.00
Rot. Bonds2

About 1-methyl-3,3-diphenylindol-2-one

1-methyl-3,3-diphenylindol-2-one (PubChem CID 3309404) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-methyl-3,3-diphenylindol-2-one.

Molecular Properties

Compound Name1-methyl-3,3-diphenylindol-2-one
PubChem CID3309404
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name1-methyl-3,3-diphenylindol-2-one
SMILESCN1C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C21H17NO/c1-22-19-15-9-8-14-18(19)21(20(22)23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3
InChIKeyFKLMILZAWJDMIS-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3-diphenylindol-2-one?
The IUPAC name of 1-methyl-3,3-diphenylindol-2-one (CID 3309404) is 1-methyl-3,3-diphenylindol-2-one.
What is the SMILES notation for 1-methyl-3,3-diphenylindol-2-one?
The canonical SMILES for 1-methyl-3,3-diphenylindol-2-one is CN1C(=O)C(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-methyl-3,3-diphenylindol-2-one?
The InChIKey is FKLMILZAWJDMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-22-19-15-9-8-14-18(19)21(20(22)23,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3.
What are the key properties of 1-methyl-3,3-diphenylindol-2-one?
1-methyl-3,3-diphenylindol-2-one has a molecular weight of 299.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3-diphenylindol-2-one is sourced from PubChem (CID 3309404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).