5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole

C24H14F4N2 — CID 158099262

IUPAC5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
SMILESFc1ccc2c(c1)C(=C(c1ccc(C(F)(F)F)cc1)c1c[nH]c3ccccc13)C=N2
InChIInChI=1S/C24H14F4N2/c25-16-9-10-22-18(11-16)20(13-30-22)23(14-5-7-15(8-6-14)24(26,27)28)19-12-29-21-4-2-1-3-17(19)21/h1-13,29H
InChIKeyJGDMJGIYGPDLHS-UHFFFAOYSA-N
MW406.38 g/mol
LogP7.00
Rot. Bonds2

About 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole

5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole (PubChem CID 158099262) has the molecular formula C24H14F4N2 and a molecular weight of 406.38 g/mol. Its IUPAC name is 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole.

Molecular Properties

Compound Name5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
PubChem CID158099262
Molecular FormulaC24H14F4N2
Molecular Weight406.38 g/mol
Exact Mass406.11
IUPAC Name5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
SMILESFc1ccc2c(c1)C(=C(c1ccc(C(F)(F)F)cc1)c1c[nH]c3ccccc13)C=N2
InChIInChI=1S/C24H14F4N2/c25-16-9-10-22-18(11-16)20(13-30-22)23(14-5-7-15(8-6-14)24(26,27)28)19-12-29-21-4-2-1-3-17(19)21/h1-13,29H
InChIKeyJGDMJGIYGPDLHS-UHFFFAOYSA-N
XLogP7.00
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.38
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 155772193
(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
CID 155772110
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indol-1-ium
CID 169425143
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indol-1-ium chloride
CID 158099261
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
CID 155772104
(3Z)-3-[(6-fluoro-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]-1-methylindol-1-ium
CID 155772377
3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-1-propylindol-1-ium
CID 159313072
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-1-propylindol-1-ium chloride
CID 164610260
2-[1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 158788217
2-[(E)-1H-indol-3-yl(indol-3-ylidene)methyl]phenol
CID 155772220
3-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
CID 161408451
3-[(1-ethylpyridin-1-ium-3-yl)-(1H-indol-3-yl)methylidene]indole
CID 158832849

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole?
The IUPAC name of 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole (CID 158099262) is 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole.
What is the SMILES notation for 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole?
The canonical SMILES for 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole is Fc1ccc2c(c1)C(=C(c1ccc(C(F)(F)F)cc1)c1c[nH]c3ccccc13)C=N2.
What is the InChIKey of 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole?
The InChIKey is JGDMJGIYGPDLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F4N2/c25-16-9-10-22-18(11-16)20(13-30-22)23(14-5-7-15(8-6-14)24(26,27)28)19-12-29-21-4-2-1-3-17(19)21/h1-13,29H.
What are the key properties of 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole?
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole has a molecular weight of 406.38 g/mol, XLogP of 7.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole is sourced from PubChem (CID 158099262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).