2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole

C26H23NO2 — CID 122630122

IUPAC2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
SMILESCOc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23NO2/c1-28-21-13-7-19(8-14-21)11-17-24-23-5-3-4-6-25(23)27-26(24)18-12-20-9-15-22(29-2)16-10-20/h3-18,27H,1-2H3/b17-11+,18-12+
InChIKeyQBKANHOQIBOMSE-JYFOCSDGSA-N
MW381.48 g/mol
LogP6.53
Rot. Bonds6

About 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole

2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole (PubChem CID 122630122) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
PubChem CID122630122
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
SMILESCOc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H23NO2/c1-28-21-13-7-19(8-14-21)11-17-24-23-5-3-4-6-25(23)27-26(24)18-12-20-9-15-22(29-2)16-10-20/h3-18,27H,1-2H3/b17-11+,18-12+
InChIKeyQBKANHOQIBOMSE-JYFOCSDGSA-N
XLogP6.53
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The IUPAC name of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole (CID 122630122) is 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole.
What is the SMILES notation for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The canonical SMILES for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole is COc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
The InChIKey is QBKANHOQIBOMSE-JYFOCSDGSA-N. The full InChI is InChI=1S/C26H23NO2/c1-28-21-13-7-19(8-14-21)11-17-24-23-5-3-4-6-25(23)27-26(24)18-12-20-9-15-22(29-2)16-10-20/h3-18,27H,1-2H3/b17-11+,18-12+.
What are the key properties of 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole?
2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole has a molecular weight of 381.48 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole is sourced from PubChem (CID 122630122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).