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

C24H17F2N — CID 122628076

IUPAC2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole
SMILESFc1ccccc1/C=C/c1[nH]c2ccccc2c1/C=C/c1ccccc1F
InChIInChI=1S/C24H17F2N/c25-21-10-4-1-7-17(21)13-15-20-19-9-3-6-12-23(19)27-24(20)16-14-18-8-2-5-11-22(18)26/h1-16,27H/b15-13+,16-14+
InChIKeyGGBHYTFDHFQMFR-WXUKJITCSA-N
MW357.40 g/mol
LogP6.79
Rot. Bonds4

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

2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole (PubChem CID 122628076) has the molecular formula C24H17F2N and a molecular weight of 357.40 g/mol. Its IUPAC name is 2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole.

Molecular Properties

Compound Name2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole
PubChem CID122628076
Molecular FormulaC24H17F2N
Molecular Weight357.40 g/mol
Exact Mass357.13
IUPAC Name2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole
SMILESFc1ccccc1/C=C/c1[nH]c2ccccc2c1/C=C/c1ccccc1F
InChIInChI=1S/C24H17F2N/c25-21-10-4-1-7-17(21)13-15-20-19-9-3-6-12-23(19)27-24(20)16-14-18-8-2-5-11-22(18)26/h1-16,27H/b15-13+,16-14+
InChIKeyGGBHYTFDHFQMFR-WXUKJITCSA-N
XLogP6.79
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.40
LogP ≤ 56.79
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-(2-fluorophenyl)ethenyl]-1H-indole?
The IUPAC name of 2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole (CID 122628076) is 2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole.
What is the SMILES notation for 2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole?
The canonical SMILES for 2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole is Fc1ccccc1/C=C/c1[nH]c2ccccc2c1/C=C/c1ccccc1F.
What is the InChIKey of 2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole?
The InChIKey is GGBHYTFDHFQMFR-WXUKJITCSA-N. The full InChI is InChI=1S/C24H17F2N/c25-21-10-4-1-7-17(21)13-15-20-19-9-3-6-12-23(19)27-24(20)16-14-18-8-2-5-11-22(18)26/h1-16,27H/b15-13+,16-14+.
What are the key properties of 2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole?
2,3-bis[(E)-2-(2-fluorophenyl)ethenyl]-1H-indole has a molecular weight of 357.40 g/mol, XLogP of 6.79, 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-(2-fluorophenyl)ethenyl]-1H-indole is sourced from PubChem (CID 122628076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).