3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole

C23H15F3N3+ — CID 155772383

IUPAC3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole
SMILESFC(F)(F)c1ccc(/C(=C2/C=[NH+]c3ccccc32)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H14F3N3/c24-23(25,26)21-10-9-14(11-29-21)22(17-12-27-19-7-3-1-5-15(17)19)18-13-28-20-8-4-2-6-16(18)20/h1-13,27H/p+1/b22-18+
InChIKeyRDZNUQDCZMVHSA-RELWKKBWSA-O
MW390.39 g/mol
LogP4.34
Rot. Bonds2

About 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole

3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole (PubChem CID 155772383) has the molecular formula C23H15F3N3+ and a molecular weight of 390.39 g/mol. Its IUPAC name is 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole
PubChem CID155772383
Molecular FormulaC23H15F3N3+
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC Name3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole
SMILESFC(F)(F)c1ccc(/C(=C2/C=[NH+]c3ccccc32)c2c[nH]c3ccccc23)cn1
InChIInChI=1S/C23H14F3N3/c24-23(25,26)21-10-9-14(11-29-21)22(17-12-27-19-7-3-1-5-15(17)19)18-13-28-20-8-4-2-6-16(18)20/h1-13,27H/p+1/b22-18+
InChIKeyRDZNUQDCZMVHSA-RELWKKBWSA-O
XLogP4.34
TPSA42.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[indol-1-ium-3-ylidene(1H-indol-3-yl)methyl]-2-(trifluoromethyl)phenol
CID 162212810
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
3-[indol-1-ium-3-ylidene-(4-methylphenyl)methyl]-1H-indole;methanesulfonate
CID 160524164
3-[(Z)-(3-bromophenyl)-indol-1-ium-3-ylidenemethyl]-1H-indole
CID 155772227
3-[(Z)-indol-1-ium-3-ylidene-(3-methoxyphenyl)methyl]-1H-indole
CID 155772366
3-[(Z)-indol-1-ium-3-ylidene-(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1H-indole
CID 155772278
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
CID 155772104
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 158099262
(3Z)-5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 155772193
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

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole?
The IUPAC name of 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole (CID 155772383) is 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole.
What is the SMILES notation for 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole?
The canonical SMILES for 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole is FC(F)(F)c1ccc(/C(=C2/C=[NH+]c3ccccc32)c2c[nH]c3ccccc23)cn1.
What is the InChIKey of 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole?
The InChIKey is RDZNUQDCZMVHSA-RELWKKBWSA-O. The full InChI is InChI=1S/C23H14F3N3/c24-23(25,26)21-10-9-14(11-29-21)22(17-12-27-19-7-3-1-5-15(17)19)18-13-28-20-8-4-2-6-16(18)20/h1-13,27H/p+1/b22-18+.
What are the key properties of 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole?
3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole has a molecular weight of 390.39 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-indol-1-ium-3-ylidene-[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-indole is sourced from PubChem (CID 155772383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).