3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one

C24H19NO — CID 67199866

IUPAC3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
SMILESCn1c(-c2ccccc2)c(C=CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19NO/c1-25-22-15-9-8-14-20(22)21(24(25)19-12-6-3-7-13-19)16-17-23(26)18-10-4-2-5-11-18/h2-17H,1H3
InChIKeyAUTQSENAQYKLBK-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.74
Rot. Bonds4

About 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one

3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one (PubChem CID 67199866) has the molecular formula C24H19NO and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
PubChem CID67199866
Molecular FormulaC24H19NO
Molecular Weight337.42 g/mol
Exact Mass337.15
IUPAC Name3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one
SMILESCn1c(-c2ccccc2)c(C=CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19NO/c1-25-22-15-9-8-14-20(22)21(24(25)19-12-6-3-7-13-19)16-17-23(26)18-10-4-2-5-11-18/h2-17H,1H3
InChIKeyAUTQSENAQYKLBK-UHFFFAOYSA-N
XLogP5.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-methyl-3-(1-methyl-2-phenylindol-3-yl)prop-2-enoic acid
CID 170873291
ethyl (2E)-2-[(1-methyl-2-phenylindol-3-yl)methylidene]-3-oxobutanoate
CID 163671540
1-methyl-2-phenylindole-3-carboxylic acid
CID 8899719
N-[(Z)-(1-methyl-2-phenylindol-3-yl)methylideneamino]cyclopropanecarboxamide
CID 8892980
2-[(E)-(1-methyl-2-phenylindol-3-yl)methylideneamino]guanidine
CID 22314271
N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 3909937
3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
CID 118108345
3-[9-methyl-7-(3-oxo-3-phenylprop-1-enyl)carbazol-2-yl]-1-phenylprop-2-en-1-one
CID 71397195
methyl 3-(1,2-diphenylindol-3-yl)prop-2-enoate
CID 169479953
1-methyl-3-methylsulfonyl-2-phenylindole
CID 102275352
6-(1-methyl-2-pyridin-3-ylindol-3-yl)hex-5-enoic acid
CID 54337531
1-methyl-2,3-diphenylindole
CID 11426096

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one (CID 67199866) is 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one is Cn1c(-c2ccccc2)c(C=CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one?
The InChIKey is AUTQSENAQYKLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO/c1-25-22-15-9-8-14-20(22)21(24(25)19-12-6-3-7-13-19)16-17-23(26)18-10-4-2-5-11-18/h2-17H,1H3.
What are the key properties of 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one?
3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one has a molecular weight of 337.42 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-2-phenylindol-3-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 67199866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).