(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol

C24H15F3N2O2 — CID 155772110

IUPAC(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
SMILESOc1ccc2c(c1)/C(=C(\c1ccc(C(F)(F)F)cc1)c1c[nH]c3ccc(O)cc13)C=N2
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)14-3-1-13(2-4-14)23(19-11-28-21-7-5-15(30)9-17(19)21)20-12-29-22-8-6-16(31)10-18(20)22/h1-12,28,30-31H/b23-20+
InChIKeyJDTBYZKOIUXLOU-BSYVCWPDSA-N
MW420.39 g/mol
LogP6.27
Rot. Bonds2

About (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol

(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol (PubChem CID 155772110) has the molecular formula C24H15F3N2O2 and a molecular weight of 420.39 g/mol. Its IUPAC name is (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol.

Molecular Properties

Compound Name(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
PubChem CID155772110
Molecular FormulaC24H15F3N2O2
Molecular Weight420.39 g/mol
Exact Mass420.11
IUPAC Name(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol
SMILESOc1ccc2c(c1)/C(=C(\c1ccc(C(F)(F)F)cc1)c1c[nH]c3ccc(O)cc13)C=N2
InChIInChI=1S/C24H15F3N2O2/c25-24(26,27)14-3-1-13(2-4-14)23(19-11-28-21-7-5-15(30)9-17(19)21)20-12-29-22-8-6-16(31)10-18(20)22/h1-12,28,30-31H/b23-20+
InChIKeyJDTBYZKOIUXLOU-BSYVCWPDSA-N
XLogP6.27
TPSA68.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 56.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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
5-fluoro-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]indole
CID 158099262
(3Z)-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methylidene]-7-methoxyindole
CID 155772104
3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-5-ol
CID 139526498
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-[1H-indol-3-yl(thiophen-2-yl)methylidene]indole
CID 161408451
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
(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

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol?
The IUPAC name of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol (CID 155772110) is (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol.
What is the SMILES notation for (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol?
The canonical SMILES for (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol is Oc1ccc2c(c1)/C(=C(\c1ccc(C(F)(F)F)cc1)c1c[nH]c3ccc(O)cc13)C=N2.
What is the InChIKey of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol?
The InChIKey is JDTBYZKOIUXLOU-BSYVCWPDSA-N. The full InChI is InChI=1S/C24H15F3N2O2/c25-24(26,27)14-3-1-13(2-4-14)23(19-11-28-21-7-5-15(30)9-17(19)21)20-12-29-22-8-6-16(31)10-18(20)22/h1-12,28,30-31H/b23-20+.
What are the key properties of (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol?
(3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol has a molecular weight of 420.39 g/mol, XLogP of 6.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(5-hydroxy-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methylidene]indol-5-ol is sourced from PubChem (CID 155772110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).