1-benzyl-2-ethyl-6-phenylindole

C23H21N — CID 90874677

IUPAC1-benzyl-2-ethyl-6-phenylindole
SMILESCCc1cc2ccc(-c3ccccc3)cc2n1Cc1ccccc1
InChIInChI=1S/C23H21N/c1-2-22-15-21-14-13-20(19-11-7-4-8-12-19)16-23(21)24(22)17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3
InChIKeyXTGMIEQALXICAJ-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.92
Rot. Bonds4

About 1-benzyl-2-ethyl-6-phenylindole

1-benzyl-2-ethyl-6-phenylindole (PubChem CID 90874677) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-benzyl-2-ethyl-6-phenylindole.

Molecular Properties

Compound Name1-benzyl-2-ethyl-6-phenylindole
PubChem CID90874677
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name1-benzyl-2-ethyl-6-phenylindole
SMILESCCc1cc2ccc(-c3ccccc3)cc2n1Cc1ccccc1
InChIInChI=1S/C23H21N/c1-2-22-15-21-14-13-20(19-11-7-4-8-12-19)16-23(21)24(22)17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3
InChIKeyXTGMIEQALXICAJ-UHFFFAOYSA-N
XLogP5.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-[(2-chlorophenyl)methyl]-2-ethylindole-6-carboxylic acid
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4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
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3-benzyl-2-(4-ethylphenyl)imidazo[1,2-a]benzimidazole
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methyl 1-benzyl-2-(2-hydroxyethyl)indole-6-carboxylate
CID 90133591
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-ethyl-6-phenylindole?
The IUPAC name of 1-benzyl-2-ethyl-6-phenylindole (CID 90874677) is 1-benzyl-2-ethyl-6-phenylindole.
What is the SMILES notation for 1-benzyl-2-ethyl-6-phenylindole?
The canonical SMILES for 1-benzyl-2-ethyl-6-phenylindole is CCc1cc2ccc(-c3ccccc3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-ethyl-6-phenylindole?
The InChIKey is XTGMIEQALXICAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-2-22-15-21-14-13-20(19-11-7-4-8-12-19)16-23(21)24(22)17-18-9-5-3-6-10-18/h3-16H,2,17H2,1H3.
What are the key properties of 1-benzyl-2-ethyl-6-phenylindole?
1-benzyl-2-ethyl-6-phenylindole has a molecular weight of 311.43 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-ethyl-6-phenylindole is sourced from PubChem (CID 90874677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).