3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole

C24H20ClN — CID 102573297

IUPAC3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole
SMILESCc1ccc(/C(=C\c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20ClN/c1-16-7-11-19(12-8-16)22(15-18-9-13-20(25)14-10-18)24-17(2)26-23-6-4-3-5-21(23)24/h3-15,26H,1-2H3/b22-15+
InChIKeyIDWYZSLGSGNFBL-PXLXIMEGSA-N
MW357.88 g/mol
LogP7.03
Rot. Bonds3

About 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole

3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole (PubChem CID 102573297) has the molecular formula C24H20ClN and a molecular weight of 357.88 g/mol. Its IUPAC name is 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole
PubChem CID102573297
Molecular FormulaC24H20ClN
Molecular Weight357.88 g/mol
Exact Mass357.13
IUPAC Name3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole
SMILESCc1ccc(/C(=C\c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20ClN/c1-16-7-11-19(12-8-16)22(15-18-9-13-20(25)14-10-18)24-17(2)26-23-6-4-3-5-21(23)24/h3-15,26H,1-2H3/b22-15+
InChIKeyIDWYZSLGSGNFBL-PXLXIMEGSA-N
XLogP7.03
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.88
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole?
The IUPAC name of 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole (CID 102573297) is 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole is Cc1ccc(/C(=C\c2ccc(Cl)cc2)c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole?
The InChIKey is IDWYZSLGSGNFBL-PXLXIMEGSA-N. The full InChI is InChI=1S/C24H20ClN/c1-16-7-11-19(12-8-16)22(15-18-9-13-20(25)14-10-18)24-17(2)26-23-6-4-3-5-21(23)24/h3-15,26H,1-2H3/b22-15+.
What are the key properties of 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole?
3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole has a molecular weight of 357.88 g/mol, XLogP of 7.03, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(4-chlorophenyl)-1-(4-methylphenyl)ethenyl]-2-methyl-1H-indole is sourced from PubChem (CID 102573297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).