2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole

C24H17FIN — CID 122647787

IUPAC2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
SMILESFc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C24H17FIN/c25-19-11-5-17(6-12-19)10-16-24-22(21-3-1-2-4-23(21)27-24)15-9-18-7-13-20(26)14-8-18/h1-16,27H/b15-9+,16-10+
InChIKeyMYIRECHXBZSPAD-KAVGSWPWSA-N
MW465.31 g/mol
LogP7.25
Rot. Bonds4

About 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole

2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole (PubChem CID 122647787) has the molecular formula C24H17FIN and a molecular weight of 465.31 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
PubChem CID122647787
Molecular FormulaC24H17FIN
Molecular Weight465.31 g/mol
Exact Mass465.04
IUPAC Name2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole
SMILESFc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(I)cc2)cc1
InChIInChI=1S/C24H17FIN/c25-19-11-5-17(6-12-19)10-16-24-22(21-3-1-2-4-23(21)27-24)15-9-18-7-13-20(26)14-8-18/h1-16,27H/b15-9+,16-10+
InChIKeyMYIRECHXBZSPAD-KAVGSWPWSA-N
XLogP7.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.31
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole?
The IUPAC name of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole (CID 122647787) is 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole.
What is the SMILES notation for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole?
The canonical SMILES for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole is Fc1ccc(/C=C/c2[nH]c3ccccc3c2/C=C/c2ccc(I)cc2)cc1.
What is the InChIKey of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole?
The InChIKey is MYIRECHXBZSPAD-KAVGSWPWSA-N. The full InChI is InChI=1S/C24H17FIN/c25-19-11-5-17(6-12-19)10-16-24-22(21-3-1-2-4-23(21)27-24)15-9-18-7-13-20(26)14-8-18/h1-16,27H/b15-9+,16-10+.
What are the key properties of 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole?
2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole has a molecular weight of 465.31 g/mol, XLogP of 7.25, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluorophenyl)ethenyl]-3-[(E)-2-(4-iodophenyl)ethenyl]-1H-indole is sourced from PubChem (CID 122647787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).