1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone

C23H19NO2 — CID 155556553

IUPAC1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone
SMILESCOc1ccc(-c2cc3cc(-c4ccccc4)cc(C(C)=O)c3[nH]2)cc1
InChIInChI=1S/C23H19NO2/c1-15(25)21-13-18(16-6-4-3-5-7-16)12-19-14-22(24-23(19)21)17-8-10-20(26-2)11-9-17/h3-14,24H,1-2H3
InChIKeyDLVSVSFNJQESDV-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.71
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone

1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone (PubChem CID 155556553) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone
PubChem CID155556553
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone
SMILESCOc1ccc(-c2cc3cc(-c4ccccc4)cc(C(C)=O)c3[nH]2)cc1
InChIInChI=1S/C23H19NO2/c1-15(25)21-13-18(16-6-4-3-5-7-16)12-19-14-22(24-23(19)21)17-8-10-20(26-2)11-9-17/h3-14,24H,1-2H3
InChIKeyDLVSVSFNJQESDV-UHFFFAOYSA-N
XLogP5.71
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone (CID 155556553) is 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone is COc1ccc(-c2cc3cc(-c4ccccc4)cc(C(C)=O)c3[nH]2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone?
The InChIKey is DLVSVSFNJQESDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-15(25)21-13-18(16-6-4-3-5-7-16)12-19-14-22(24-23(19)21)17-8-10-20(26-2)11-9-17/h3-14,24H,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone?
1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 5.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-5-phenyl-1H-indol-7-yl]ethanone is sourced from PubChem (CID 155556553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).