1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone

C23H19NO — CID 59664118

IUPAC1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(-c3ccccc3C)cc3ccccc32)cc1
InChIInChI=1S/C23H19NO/c1-16-7-3-5-9-21(16)23-15-19-8-4-6-10-22(19)24(23)20-13-11-18(12-14-20)17(2)25/h3-15H,1-2H3
InChIKeyJHNIUCQXQAWYJJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.81
Rot. Bonds3

About 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone

1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone (PubChem CID 59664118) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone
PubChem CID59664118
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-n2c(-c3ccccc3C)cc3ccccc32)cc1
InChIInChI=1S/C23H19NO/c1-16-7-3-5-9-21(16)23-15-19-8-4-6-10-22(19)24(23)20-13-11-18(12-14-20)17(2)25/h3-15H,1-2H3
InChIKeyJHNIUCQXQAWYJJ-UHFFFAOYSA-N
XLogP5.81
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)-2-naphthalen-1-ylindole
CID 177416658
1,2-bis(4-methylphenyl)indole
CID 151814608
N,N-dimethyl-4-(2-phenylindol-1-yl)cyclodeca-1,3,5,7,9-pentaene-1-carboxamide
CID 143214514
1-[4-[2-(4-carbazol-9-ylphenyl)ethynyl]phenyl]ethanone
CID 141209128
1-(benzenesulfonyl)-2-(2-methylphenyl)indole
CID 173032867
1-[1-methyl-5-(2-methylphenyl)pyrrol-2-yl]ethanone
CID 134967681
1,5-bis[4-(2-methylphenyl)phenyl]-2,6-diphenylpyrrolo[2,3-f]indole;1,5-bis(4-naphthalen-1-ylphenyl)-2,6-diphenylpyrrolo[2,3-f]indole
CID 157183125
2,6-bis(4-acetylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 1097763
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
1-[3-(5-acetyl-2-methylphenyl)-4-methylphenyl]ethanone
CID 53409856
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
1-[9-ethyl-6-(2-methylphenyl)carbazol-3-yl]ethanone
CID 91317353

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone (CID 59664118) is 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone is CC(=O)c1ccc(-n2c(-c3ccccc3C)cc3ccccc32)cc1.
What is the InChIKey of 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone?
The InChIKey is JHNIUCQXQAWYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-16-7-3-5-9-21(16)23-15-19-8-4-6-10-22(19)24(23)20-13-11-18(12-14-20)17(2)25/h3-15H,1-2H3.
What are the key properties of 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone?
1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylphenyl)indol-1-yl]phenyl]ethanone is sourced from PubChem (CID 59664118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).