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

C24H17Cl2N — CID 56683454

IUPAC2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole
SMILESClc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17Cl2N/c25-19-11-5-17(6-12-19)9-15-22-21-3-1-2-4-23(21)27-24(22)16-10-18-7-13-20(26)14-8-18/h1-16,27H/b15-9+,16-10+
InChIKeyHFOODGLJBVXKRJ-KAVGSWPWSA-N
MW390.31 g/mol
LogP7.82
Rot. Bonds4

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

2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole (PubChem CID 56683454) has the molecular formula C24H17Cl2N and a molecular weight of 390.31 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole
PubChem CID56683454
Molecular FormulaC24H17Cl2N
Molecular Weight390.31 g/mol
Exact Mass389.07
IUPAC Name2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole
SMILESClc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H17Cl2N/c25-19-11-5-17(6-12-19)9-15-22-21-3-1-2-4-23(21)27-24(22)16-10-18-7-13-20(26)14-8-18/h1-16,27H/b15-9+,16-10+
InChIKeyHFOODGLJBVXKRJ-KAVGSWPWSA-N
XLogP7.82
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.31
LogP ≤ 57.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole?
The IUPAC name of 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole (CID 56683454) is 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole.
What is the SMILES notation for 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole?
The canonical SMILES for 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole is Clc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole?
The InChIKey is HFOODGLJBVXKRJ-KAVGSWPWSA-N. The full InChI is InChI=1S/C24H17Cl2N/c25-19-11-5-17(6-12-19)9-15-22-21-3-1-2-4-23(21)27-24(22)16-10-18-7-13-20(26)14-8-18/h1-16,27H/b15-9+,16-10+.
What are the key properties of 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole?
2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole has a molecular weight of 390.31 g/mol, XLogP of 7.82, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(E)-2-(4-chlorophenyl)ethenyl]-1H-indole is sourced from PubChem (CID 56683454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).